N-[3,5-bis[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]decanamide;N-[3,5-bis[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]formamide

C35H56N18O2 — CID 143363498

IUPACN-[3,5-bis[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]decanamide;N-[3,5-bis[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]formamide
SMILESC/C(=N\N=C(N)N)c1cc(NC=O)cc(/C(C)=N/N=C(N)N)c1.CCCCCCCCCC(=O)Nc1cc(/C(C)=N/N=C(N)N)cc(/C(C)=N/N=C(N)N)c1
InChIInChI=1S/C22H37N9O.C13H19N9O/c1-4-5-6-7-8-9-10-11-20(32)27-19-13-17(15(2)28-30-21(23)24)12-18(14-19)16(3)29-31-22(25)26;1-7(19-21-12(14)15)9-3-10(5-11(4-9)18-6-23)8(2)20-22-13(16)17/h12-14H,4-11H2,1-3H3,(H,27,32)(H4,23,24,30)(H4,25,26,31);3-6H,1-2H3,(H,18,23)(H4,14,15,21)(H4,16,17,22)/b28-15+,29-16+;19-7+,20-8+
InChIKeyZUYHICYDBVQXNO-RKNJWFNSSA-N
MW760.96 g/mol
LogP2.01
Rot. Bonds19

About N-[3,5-bis[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]decanamide;N-[3,5-bis[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]formamide

N-[3,5-bis[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]decanamide;N-[3,5-bis[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]formamide (PubChem CID 143363498) has the molecular formula C35H56N18O2 and a molecular weight of 760.96 g/mol. Its IUPAC name is N-[3,5-bis[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]decanamide;N-[3,5-bis[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]formamide.

Molecular Properties

Compound NameN-[3,5-bis[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]decanamide;N-[3,5-bis[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]formamide
PubChem CID143363498
Molecular FormulaC35H56N18O2
Molecular Weight760.96 g/mol
Exact Mass760.48
IUPAC NameN-[3,5-bis[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]decanamide;N-[3,5-bis[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]formamide
SMILESC/C(=N\N=C(N)N)c1cc(NC=O)cc(/C(C)=N/N=C(N)N)c1.CCCCCCCCCC(=O)Nc1cc(/C(C)=N/N=C(N)N)cc(/C(C)=N/N=C(N)N)c1
InChIInChI=1S/C22H37N9O.C13H19N9O/c1-4-5-6-7-8-9-10-11-20(32)27-19-13-17(15(2)28-30-21(23)24)12-18(14-19)16(3)29-31-22(25)26;1-7(19-21-12(14)15)9-3-10(5-11(4-9)18-6-23)8(2)20-22-13(16)17/h12-14H,4-11H2,1-3H3,(H,27,32)(H4,23,24,30)(H4,25,26,31);3-6H,1-2H3,(H,18,23)(H4,14,15,21)(H4,16,17,22)/b28-15+,29-16+;19-7+,20-8+
InChIKeyZUYHICYDBVQXNO-RKNJWFNSSA-N
XLogP2.01
TPSA365.24 Ų
H-Bond Donors10
H-Bond Acceptors10
Rotatable Bonds19
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.96
LogP ≤ 52.01
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[3-acetyl-5-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-N-[3,5-bis[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]decanediamide;N-[3-acetyl-5-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-N'-(3,5-diacetylphenyl)decanediamide;N,N'-bis(3,5-diacetylphenyl)decanediamide
CID 172953339
10-azido-N-[3-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-5-[(Z)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]decanamide
CID 86300974
5-(dodecanoylamino)benzene-1,3-dicarboxylic acid
CID 2832516
N-[3,5-bis[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]acetamide;hydrochloride
CID 45265177
dimethyl 5-(undecanoylamino)benzene-1,3-dicarboxylate
CID 3567810
dimethyl 5-(nonanoylamino)benzene-1,3-dicarboxylate
CID 3527514
N'-[3-[N-(2-aminoprop-2-enyl)-C-methylcarbonimidoyl]-5-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-N-[3-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-5-[1-[2-(diaminomethylidene)hydrazinyl]ethyl]phenyl]decanediamide
CID 172923908
3,5-bis(dodecanoylamino)benzoic acid
CID 3575091
3,5-bis(tridecanoylamino)benzoic acid
CID 142485960
N'-(3,5-diacetylphenyl)dodecanediamide
CID 67588314
N'-(3,5-diacetylphenyl)nonanediamide
CID 67588670
N,N'-bis(3,5-diacetylphenyl)octanediamide
CID 15541279

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]decanamide;N-[3,5-bis[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]formamide?
The IUPAC name of N-[3,5-bis[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]decanamide;N-[3,5-bis[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]formamide (CID 143363498) is N-[3,5-bis[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]decanamide;N-[3,5-bis[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]formamide.
What is the SMILES notation for N-[3,5-bis[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]decanamide;N-[3,5-bis[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]formamide?
The canonical SMILES for N-[3,5-bis[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]decanamide;N-[3,5-bis[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]formamide is C/C(=N\N=C(N)N)c1cc(NC=O)cc(/C(C)=N/N=C(N)N)c1.CCCCCCCCCC(=O)Nc1cc(/C(C)=N/N=C(N)N)cc(/C(C)=N/N=C(N)N)c1.
What is the InChIKey of N-[3,5-bis[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]decanamide;N-[3,5-bis[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]formamide?
The InChIKey is ZUYHICYDBVQXNO-RKNJWFNSSA-N. The full InChI is InChI=1S/C22H37N9O.C13H19N9O/c1-4-5-6-7-8-9-10-11-20(32)27-19-13-17(15(2)28-30-21(23)24)12-18(14-19)16(3)29-31-22(25)26;1-7(19-21-12(14)15)9-3-10(5-11(4-9)18-6-23)8(2)20-22-13(16)17/h12-14H,4-11H2,1-3H3,(H,27,32)(H4,23,24,30)(H4,25,26,31);3-6H,1-2H3,(H,18,23)(H4,14,15,21)(H4,16,17,22)/b28-15+,29-16+;19-7+,20-8+.
What are the key properties of N-[3,5-bis[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]decanamide;N-[3,5-bis[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]formamide?
N-[3,5-bis[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]decanamide;N-[3,5-bis[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]formamide has a molecular weight of 760.96 g/mol, XLogP of 2.01, 19 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]decanamide;N-[3,5-bis[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]formamide is sourced from PubChem (CID 143363498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).