N-(1-amino-3-oxohexan-2-yl)dodecanamide;N-(1-amino-6-oxononan-5-yl)dodecanamide;N-(1-amino-5-oxooctan-4-yl)dodecanamide;N-[1-(diaminomethylideneamino)-6-oxononan-5-yl]dodecanamide;diaminomethylidene-[4-(octadecanoylamino)-5-oxododecyl]azanium;diaminomethylidene-[4-(octadecanoylamino)-5-oxooctyl]azanium

C139H280N18O12+2 — CID 160859405

IUPACN-(1-amino-3-oxohexan-2-yl)dodecanamide;N-(1-amino-6-oxononan-5-yl)dodecanamide;N-(1-amino-5-oxooctan-4-yl)dodecanamide;N-[1-(diaminomethylideneamino)-6-oxononan-5-yl]dodecanamide;diaminomethylidene-[4-(octadecanoylamino)-5-oxododecyl]azanium;diaminomethylidene-[4-(octadecanoylamino)-5-oxooctyl]azanium
SMILESCCCCCCCCCCCC(=O)NC(CCCCN)C(=O)CCC.CCCCCCCCCCCC(=O)NC(CCCCN=C(N)N)C(=O)CCC.CCCCCCCCCCCC(=O)NC(CCCN)C(=O)CCC.CCCCCCCCCCCC(=O)NC(CN)C(=O)CCC.CCCCCCCCCCCCCCCCCC(=O)NC(CCC[NH+]=C(N)N)C(=O)CCC.CCCCCCCCCCCCCCCCCC(=O)NC(CCC[NH+]=C(N)N)C(=O)CCCCCCC
InChIInChI=1S/C31H62N4O2.C27H54N4O2.C22H44N4O2.C21H42N2O2.C20H40N2O2.C18H36N2O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-20-22-26-30(37)35-28(24-23-27-34-31(32)33)29(36)25-21-19-8-6-4-2;1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-26(33)31-24(25(32)20-4-2)21-19-23-30-27(28)29;1-3-5-6-7-8-9-10-11-12-17-21(28)26-19(20(27)15-4-2)16-13-14-18-25-22(23)24;1-3-5-6-7-8-9-10-11-12-17-21(25)23-19(16-13-14-18-22)20(24)15-4-2;1-3-5-6-7-8-9-10-11-12-16-20(24)22-18(15-13-17-21)19(23)14-4-2;1-3-5-6-7-8-9-10-11-12-14-18(22)20-16(15-19)17(21)13-4-2/h28H,3-27H2,1-2H3,(H,35,37)(H4,32,33,34);24H,3-23H2,1-2H3,(H,31,33)(H4,28,29,30);19H,3-18H2,1-2H3,(H,26,28)(H4,23,24,25);19H,3-18,22H2,1-2H3,(H,23,25);18H,3-17,21H2,1-2H3,(H,22,24);16H,3-15,19H2,1-2H3,(H,20,22)/p+2
InChIKeySKGZFMYFFWINPA-UHFFFAOYSA-P
MW2395.88 g/mol
LogP27.35
Rot. Bonds121

About N-(1-amino-3-oxohexan-2-yl)dodecanamide;N-(1-amino-6-oxononan-5-yl)dodecanamide;N-(1-amino-5-oxooctan-4-yl)dodecanamide;N-[1-(diaminomethylideneamino)-6-oxononan-5-yl]dodecanamide;diaminomethylidene-[4-(octadecanoylamino)-5-oxododecyl]azanium;diaminomethylidene-[4-(octadecanoylamino)-5-oxooctyl]azanium

N-(1-amino-3-oxohexan-2-yl)dodecanamide;N-(1-amino-6-oxononan-5-yl)dodecanamide;N-(1-amino-5-oxooctan-4-yl)dodecanamide;N-[1-(diaminomethylideneamino)-6-oxononan-5-yl]dodecanamide;diaminomethylidene-[4-(octadecanoylamino)-5-oxododecyl]azanium;diaminomethylidene-[4-(octadecanoylamino)-5-oxooctyl]azanium (PubChem CID 160859405) has the molecular formula C139H280N18O12+2 and a molecular weight of 2395.88 g/mol. Its IUPAC name is N-(1-amino-3-oxohexan-2-yl)dodecanamide;N-(1-amino-6-oxononan-5-yl)dodecanamide;N-(1-amino-5-oxooctan-4-yl)dodecanamide;N-[1-(diaminomethylideneamino)-6-oxononan-5-yl]dodecanamide;diaminomethylidene-[4-(octadecanoylamino)-5-oxododecyl]azanium;diaminomethylidene-[4-(octadecanoylamino)-5-oxooctyl]azanium.

Molecular Properties

Compound NameN-(1-amino-3-oxohexan-2-yl)dodecanamide;N-(1-amino-6-oxononan-5-yl)dodecanamide;N-(1-amino-5-oxooctan-4-yl)dodecanamide;N-[1-(diaminomethylideneamino)-6-oxononan-5-yl]dodecanamide;diaminomethylidene-[4-(octadecanoylamino)-5-oxododecyl]azanium;diaminomethylidene-[4-(octadecanoylamino)-5-oxooctyl]azanium
PubChem CID160859405
Molecular FormulaC139H280N18O12+2
Molecular Weight2395.88 g/mol
Exact Mass2394.18
IUPAC NameN-(1-amino-3-oxohexan-2-yl)dodecanamide;N-(1-amino-6-oxononan-5-yl)dodecanamide;N-(1-amino-5-oxooctan-4-yl)dodecanamide;N-[1-(diaminomethylideneamino)-6-oxononan-5-yl]dodecanamide;diaminomethylidene-[4-(octadecanoylamino)-5-oxododecyl]azanium;diaminomethylidene-[4-(octadecanoylamino)-5-oxooctyl]azanium
SMILESCCCCCCCCCCCC(=O)NC(CCCCN)C(=O)CCC.CCCCCCCCCCCC(=O)NC(CCCCN=C(N)N)C(=O)CCC.CCCCCCCCCCCC(=O)NC(CCCN)C(=O)CCC.CCCCCCCCCCCC(=O)NC(CN)C(=O)CCC.CCCCCCCCCCCCCCCCCC(=O)NC(CCC[NH+]=C(N)N)C(=O)CCC.CCCCCCCCCCCCCCCCCC(=O)NC(CCC[NH+]=C(N)N)C(=O)CCCCCCC
InChIInChI=1S/C31H62N4O2.C27H54N4O2.C22H44N4O2.C21H42N2O2.C20H40N2O2.C18H36N2O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-20-22-26-30(37)35-28(24-23-27-34-31(32)33)29(36)25-21-19-8-6-4-2;1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-26(33)31-24(25(32)20-4-2)21-19-23-30-27(28)29;1-3-5-6-7-8-9-10-11-12-17-21(28)26-19(20(27)15-4-2)16-13-14-18-25-22(23)24;1-3-5-6-7-8-9-10-11-12-17-21(25)23-19(16-13-14-18-22)20(24)15-4-2;1-3-5-6-7-8-9-10-11-12-16-20(24)22-18(15-13-17-21)19(23)14-4-2;1-3-5-6-7-8-9-10-11-12-14-18(22)20-16(15-19)17(21)13-4-2/h28H,3-27H2,1-2H3,(H,35,37)(H4,32,33,34);24H,3-23H2,1-2H3,(H,31,33)(H4,28,29,30);19H,3-18H2,1-2H3,(H,26,28)(H4,23,24,25);19H,3-18,22H2,1-2H3,(H,23,25);18H,3-17,21H2,1-2H3,(H,22,24);16H,3-15,19H2,1-2H3,(H,20,22)/p+2
InChIKeySKGZFMYFFWINPA-UHFFFAOYSA-P
XLogP27.35
TPSA551.50 Ų
H-Bond Donors17
H-Bond Acceptors16
Rotatable Bonds121
Heavy Atoms169
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002395.88
LogP ≤ 527.35
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-(1-amino-3-oxohexan-2-yl)dodecanamide;N-(1-amino-6-oxononan-5-yl)dodecanamide;N-(1-amino-5-oxooctan-4-yl)dodecanamide;N-[1-(diaminomethylideneamino)-6-oxononan-5-yl]dodecanamide;diaminomethylidene-[4-(octadecanoylamino)-5-oxododecyl]azanium;diaminomethylidene-[4-(octadecanoylamino)-5-oxooctyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-amino-6-oxononan-5-yl)dodecanamide;diaminomethylidene-[5-oxo-4-(pentanoylamino)dodecyl]azanium;methane;N-methyldodecanamide;N-methyloctanamide;2-(4-methyl-5-oxoheptadecyl)guanidine;2-(5-methyl-6-oxononyl)guanidine;pentadecane
CID 161488881
N-(1-amino-5-oxoheptadecan-4-yl)octanamide;N-(1-amino-5-oxotetradecan-4-yl)octanamide;N-[1-(diaminomethylideneamino)-5-oxohexadecan-4-yl]dodecanamide;N-[1-(diaminomethylideneamino)-5-oxooctan-4-yl]decanamide;N-[1-(diaminomethylideneamino)-5-oxooctan-4-yl]tetradecanamide;N-[1-(diaminomethylideneamino)-5-oxotetradecan-4-yl]dodecanamide;N-[1-(diaminomethylideneamino)-5-oxotetradecan-4-yl]octanamide
CID 159464538
N-[1-(1-aminoethylideneamino)-6-oxononan-5-yl]dodecanamide;1-aminoethylidene-[4-(octadecanoylamino)-5-oxoheptyl]azanium;N-(1-amino-6-oxononan-5-yl)dodecanamide;N-(1-amino-5-oxooctan-4-yl)dodecanamide;diaminomethylidene-[4-(dodecanoylamino)-5-oxoheptyl]azanium
CID 157283332
N-[1-(diaminomethylideneamino)-6-oxononan-5-yl]dodecanamide
CID 147790356
(4S)-5-[[(2S)-6-amino-1-[[(4S)-1-chloro-7-(diaminomethylideneamino)-3-oxoheptan-4-yl]amino]-1-oxohexan-2-yl]amino]-4-[[(2S)-2-(decanoylamino)-5-(diaminomethylideneamino)pentanoyl]amino]-5-oxopentanoic acid
CID 11721925
methyl (2S)-5-(diaminomethylideneamino)-2-(tridecanoylamino)pentanoate
CID 101199795
N-[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]undecanamide
CID 155426715
N-[(2S)-6-(diaminomethylideneamino)-1-(ethylamino)-1-oxohexan-2-yl]dodecanamide
CID 127263390
N-[6-(diaminomethylideneamino)-1-(dodecylamino)-1-oxohexan-2-yl]dodecanamide
CID 87306993
N-[6-(diaminomethylideneamino)-1-(dodecylamino)-1-oxohexan-2-yl]octadecanamide;hydrochloride
CID 135364189
N-[(2S)-6-(diaminomethylideneamino)-1-(dodecylamino)-1-oxohexan-2-yl]docosanamide;hydrochloride
CID 135364280
N-[(2R)-1-[[(2R)-1-[[(2R)-6-amino-1-[[(3R)-1-chloro-6-(diaminomethylideneamino)-2-oxohexan-3-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]decanamide
CID 130351961

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-oxohexan-2-yl)dodecanamide;N-(1-amino-6-oxononan-5-yl)dodecanamide;N-(1-amino-5-oxooctan-4-yl)dodecanamide;N-[1-(diaminomethylideneamino)-6-oxononan-5-yl]dodecanamide;diaminomethylidene-[4-(octadecanoylamino)-5-oxododecyl]azanium;diaminomethylidene-[4-(octadecanoylamino)-5-oxooctyl]azanium?
The IUPAC name of N-(1-amino-3-oxohexan-2-yl)dodecanamide;N-(1-amino-6-oxononan-5-yl)dodecanamide;N-(1-amino-5-oxooctan-4-yl)dodecanamide;N-[1-(diaminomethylideneamino)-6-oxononan-5-yl]dodecanamide;diaminomethylidene-[4-(octadecanoylamino)-5-oxododecyl]azanium;diaminomethylidene-[4-(octadecanoylamino)-5-oxooctyl]azanium (CID 160859405) is N-(1-amino-3-oxohexan-2-yl)dodecanamide;N-(1-amino-6-oxononan-5-yl)dodecanamide;N-(1-amino-5-oxooctan-4-yl)dodecanamide;N-[1-(diaminomethylideneamino)-6-oxononan-5-yl]dodecanamide;diaminomethylidene-[4-(octadecanoylamino)-5-oxododecyl]azanium;diaminomethylidene-[4-(octadecanoylamino)-5-oxooctyl]azanium.
What is the SMILES notation for N-(1-amino-3-oxohexan-2-yl)dodecanamide;N-(1-amino-6-oxononan-5-yl)dodecanamide;N-(1-amino-5-oxooctan-4-yl)dodecanamide;N-[1-(diaminomethylideneamino)-6-oxononan-5-yl]dodecanamide;diaminomethylidene-[4-(octadecanoylamino)-5-oxododecyl]azanium;diaminomethylidene-[4-(octadecanoylamino)-5-oxooctyl]azanium?
The canonical SMILES for N-(1-amino-3-oxohexan-2-yl)dodecanamide;N-(1-amino-6-oxononan-5-yl)dodecanamide;N-(1-amino-5-oxooctan-4-yl)dodecanamide;N-[1-(diaminomethylideneamino)-6-oxononan-5-yl]dodecanamide;diaminomethylidene-[4-(octadecanoylamino)-5-oxododecyl]azanium;diaminomethylidene-[4-(octadecanoylamino)-5-oxooctyl]azanium is CCCCCCCCCCCC(=O)NC(CCCCN)C(=O)CCC.CCCCCCCCCCCC(=O)NC(CCCCN=C(N)N)C(=O)CCC.CCCCCCCCCCCC(=O)NC(CCCN)C(=O)CCC.CCCCCCCCCCCC(=O)NC(CN)C(=O)CCC.CCCCCCCCCCCCCCCCCC(=O)NC(CCC[NH+]=C(N)N)C(=O)CCC.CCCCCCCCCCCCCCCCCC(=O)NC(CCC[NH+]=C(N)N)C(=O)CCCCCCC.
What is the InChIKey of N-(1-amino-3-oxohexan-2-yl)dodecanamide;N-(1-amino-6-oxononan-5-yl)dodecanamide;N-(1-amino-5-oxooctan-4-yl)dodecanamide;N-[1-(diaminomethylideneamino)-6-oxononan-5-yl]dodecanamide;diaminomethylidene-[4-(octadecanoylamino)-5-oxododecyl]azanium;diaminomethylidene-[4-(octadecanoylamino)-5-oxooctyl]azanium?
The InChIKey is SKGZFMYFFWINPA-UHFFFAOYSA-P. The full InChI is InChI=1S/C31H62N4O2.C27H54N4O2.C22H44N4O2.C21H42N2O2.C20H40N2O2.C18H36N2O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-20-22-26-30(37)35-28(24-23-27-34-31(32)33)29(36)25-21-19-8-6-4-2;1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-26(33)31-24(25(32)20-4-2)21-19-23-30-27(28)29;1-3-5-6-7-8-9-10-11-12-17-21(28)26-19(20(27)15-4-2)16-13-14-18-25-22(23)24;1-3-5-6-7-8-9-10-11-12-17-21(25)23-19(16-13-14-18-22)20(24)15-4-2;1-3-5-6-7-8-9-10-11-12-16-20(24)22-18(15-13-17-21)19(23)14-4-2;1-3-5-6-7-8-9-10-11-12-14-18(22)20-16(15-19)17(21)13-4-2/h28H,3-27H2,1-2H3,(H,35,37)(H4,32,33,34);24H,3-23H2,1-2H3,(H,31,33)(H4,28,29,30);19H,3-18H2,1-2H3,(H,26,28)(H4,23,24,25);19H,3-18,22H2,1-2H3,(H,23,25);18H,3-17,21H2,1-2H3,(H,22,24);16H,3-15,19H2,1-2H3,(H,20,22)/p+2.
What are the key properties of N-(1-amino-3-oxohexan-2-yl)dodecanamide;N-(1-amino-6-oxononan-5-yl)dodecanamide;N-(1-amino-5-oxooctan-4-yl)dodecanamide;N-[1-(diaminomethylideneamino)-6-oxononan-5-yl]dodecanamide;diaminomethylidene-[4-(octadecanoylamino)-5-oxododecyl]azanium;diaminomethylidene-[4-(octadecanoylamino)-5-oxooctyl]azanium?
N-(1-amino-3-oxohexan-2-yl)dodecanamide;N-(1-amino-6-oxononan-5-yl)dodecanamide;N-(1-amino-5-oxooctan-4-yl)dodecanamide;N-[1-(diaminomethylideneamino)-6-oxononan-5-yl]dodecanamide;diaminomethylidene-[4-(octadecanoylamino)-5-oxododecyl]azanium;diaminomethylidene-[4-(octadecanoylamino)-5-oxooctyl]azanium has a molecular weight of 2395.88 g/mol, XLogP of 27.35, 121 rotatable bonds, 17 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-oxohexan-2-yl)dodecanamide;N-(1-amino-6-oxononan-5-yl)dodecanamide;N-(1-amino-5-oxooctan-4-yl)dodecanamide;N-[1-(diaminomethylideneamino)-6-oxononan-5-yl]dodecanamide;diaminomethylidene-[4-(octadecanoylamino)-5-oxododecyl]azanium;diaminomethylidene-[4-(octadecanoylamino)-5-oxooctyl]azanium is sourced from PubChem (CID 160859405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).