N-[(5S)-6-amino-5-(methylamino)-6-oxohexyl]benzamide;ethane;1-methoxypropane

C20H37N3O3 — CID 91472308

IUPACN-[(5S)-6-amino-5-(methylamino)-6-oxohexyl]benzamide;ethane;1-methoxypropane
SMILESCC.CCCOC.CN[C@@H](CCCCNC(=O)c1ccccc1)C(N)=O
InChIInChI=1S/C14H21N3O2.C4H10O.C2H6/c1-16-12(13(15)18)9-5-6-10-17-14(19)11-7-3-2-4-8-11;1-3-4-5-2;1-2/h2-4,7-8,12,16H,5-6,9-10H2,1H3,(H2,15,18)(H,17,19);3-4H2,1-2H3;1-2H3/t12-;;/m0../s1
InChIKeyLGQPMAWNGAWBPJ-LTCKWSDVSA-N
MW367.53 g/mol
LogP2.73
Rot. Bonds10

About N-[(5S)-6-amino-5-(methylamino)-6-oxohexyl]benzamide;ethane;1-methoxypropane

N-[(5S)-6-amino-5-(methylamino)-6-oxohexyl]benzamide;ethane;1-methoxypropane (PubChem CID 91472308) has the molecular formula C20H37N3O3 and a molecular weight of 367.53 g/mol. Its IUPAC name is N-[(5S)-6-amino-5-(methylamino)-6-oxohexyl]benzamide;ethane;1-methoxypropane.

Molecular Properties

Compound NameN-[(5S)-6-amino-5-(methylamino)-6-oxohexyl]benzamide;ethane;1-methoxypropane
PubChem CID91472308
Molecular FormulaC20H37N3O3
Molecular Weight367.53 g/mol
Exact Mass367.28
IUPAC NameN-[(5S)-6-amino-5-(methylamino)-6-oxohexyl]benzamide;ethane;1-methoxypropane
SMILESCC.CCCOC.CN[C@@H](CCCCNC(=O)c1ccccc1)C(N)=O
InChIInChI=1S/C14H21N3O2.C4H10O.C2H6/c1-16-12(13(15)18)9-5-6-10-17-14(19)11-7-3-2-4-8-11;1-3-4-5-2;1-2/h2-4,7-8,12,16H,5-6,9-10H2,1H3,(H2,15,18)(H,17,19);3-4H2,1-2H3;1-2H3/t12-;;/m0../s1
InChIKeyLGQPMAWNGAWBPJ-LTCKWSDVSA-N
XLogP2.73
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.53
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(5S)-6-amino-5-(methylamino)-6-oxohexyl]benzamide;1-methoxypropane;propane
CID 90749527
N-[(5S)-5,6-diamino-6-oxohexyl]benzamide;ethane;methoxyethane
CID 90715248
[4-[[6-amino-5-(methylamino)-6-oxohexyl]carbamoyl]phenyl]azanium
CID 147379638
methyl (2S)-2,6-bis[[(2S)-2,6-dibenzamidohexanoyl]amino]hexanoate
CID 11061840
N-[(5S)-6-amino-5-(methylamino)-6-oxohexyl]-3-[[(Z)-5-(2,3-dimethoxypropoxy)pentylideneamino]oxymethyl]benzamide
CID 90882710
N-(2-aminoethyl)benzamide;ethane
CID 143976252
N-[6-amino-5-(hydroxyamino)-6-oxohexyl]-4-fluorobenzamide
CID 89197972
6-benzamidohexan-2-yl benzoate
CID 67531968
[2-[4-[4-[(E)-1-[4-[[(5S)-6-amino-5-(methylamino)-6-oxohexyl]carbamoyl]phenyl]ethylideneamino]oxybutylamino]-4-oxobutoxy]-3-(2-methoxyethylcarbamoyloxy)propyl] N-(2-methoxyethyl)carbamate
CID 91333292
N-[6-(2-methoxyethylamino)-6-oxohexyl]benzamide
CID 110839208
N-(3,4-diaminodecyl)benzamide
CID 174528291
N-[3-[[amino-(octylamino)methylidene]amino]propyl]benzamide
CID 111094065

Frequently Asked Questions

What is the IUPAC name of N-[(5S)-6-amino-5-(methylamino)-6-oxohexyl]benzamide;ethane;1-methoxypropane?
The IUPAC name of N-[(5S)-6-amino-5-(methylamino)-6-oxohexyl]benzamide;ethane;1-methoxypropane (CID 91472308) is N-[(5S)-6-amino-5-(methylamino)-6-oxohexyl]benzamide;ethane;1-methoxypropane.
What is the SMILES notation for N-[(5S)-6-amino-5-(methylamino)-6-oxohexyl]benzamide;ethane;1-methoxypropane?
The canonical SMILES for N-[(5S)-6-amino-5-(methylamino)-6-oxohexyl]benzamide;ethane;1-methoxypropane is CC.CCCOC.CN[C@@H](CCCCNC(=O)c1ccccc1)C(N)=O.
What is the InChIKey of N-[(5S)-6-amino-5-(methylamino)-6-oxohexyl]benzamide;ethane;1-methoxypropane?
The InChIKey is LGQPMAWNGAWBPJ-LTCKWSDVSA-N. The full InChI is InChI=1S/C14H21N3O2.C4H10O.C2H6/c1-16-12(13(15)18)9-5-6-10-17-14(19)11-7-3-2-4-8-11;1-3-4-5-2;1-2/h2-4,7-8,12,16H,5-6,9-10H2,1H3,(H2,15,18)(H,17,19);3-4H2,1-2H3;1-2H3/t12-;;/m0../s1.
What are the key properties of N-[(5S)-6-amino-5-(methylamino)-6-oxohexyl]benzamide;ethane;1-methoxypropane?
N-[(5S)-6-amino-5-(methylamino)-6-oxohexyl]benzamide;ethane;1-methoxypropane has a molecular weight of 367.53 g/mol, XLogP of 2.73, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S)-6-amino-5-(methylamino)-6-oxohexyl]benzamide;ethane;1-methoxypropane is sourced from PubChem (CID 91472308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).