4-benzyl-2-methyl-N-[2-oxo-2-(propylamino)ethyl]-1,4-diazepane-1-carboxamide

C19H30N4O2 — CID 136527494

IUPAC4-benzyl-2-methyl-N-[2-oxo-2-(propylamino)ethyl]-1,4-diazepane-1-carboxamide
SMILESCCCNC(=O)CNC(=O)N1CCCN(Cc2ccccc2)CC1C
InChIInChI=1S/C19H30N4O2/c1-3-10-20-18(24)13-21-19(25)23-12-7-11-22(14-16(23)2)15-17-8-5-4-6-9-17/h4-6,8-9,16H,3,7,10-15H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyGKFBJWNRVQDWAY-UHFFFAOYSA-N
MW346.48 g/mol
LogP1.82
Rot. Bonds6

About 4-benzyl-2-methyl-N-[2-oxo-2-(propylamino)ethyl]-1,4-diazepane-1-carboxamide

4-benzyl-2-methyl-N-[2-oxo-2-(propylamino)ethyl]-1,4-diazepane-1-carboxamide (PubChem CID 136527494) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 4-benzyl-2-methyl-N-[2-oxo-2-(propylamino)ethyl]-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound Name4-benzyl-2-methyl-N-[2-oxo-2-(propylamino)ethyl]-1,4-diazepane-1-carboxamide
PubChem CID136527494
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name4-benzyl-2-methyl-N-[2-oxo-2-(propylamino)ethyl]-1,4-diazepane-1-carboxamide
SMILESCCCNC(=O)CNC(=O)N1CCCN(Cc2ccccc2)CC1C
InChIInChI=1S/C19H30N4O2/c1-3-10-20-18(24)13-21-19(25)23-12-7-11-22(14-16(23)2)15-17-8-5-4-6-9-17/h4-6,8-9,16H,3,7,10-15H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyGKFBJWNRVQDWAY-UHFFFAOYSA-N
XLogP1.82
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-benzyl-2-methyl-N-[2-oxo-2-(propylamino)ethyl]-1,4-diazepane-1-carboxamide 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

2-(4-benzyl-2-methyl-1,4-diazepan-1-yl)-2-oxo-N-phenylacetamide
CID 75467745
4-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1,4-diazepane-1-carboxamide
CID 127350004
4-benzyl-2-methyl-N-(5-propan-2-yl-1,2-oxazol-3-yl)-1,4-diazepane-1-carboxamide
CID 136528969
(2S)-4-benzyl-N-(4-chloro-2,5-dimethoxyphenyl)-2-methyl-1,4-diazepane-1-carboxamide
CID 95775566
3-[(2R)-4-benzyl-2-methyl-1,4-diazepane-1-carbonyl]-1H-pyridin-2-one
CID 95635367
4-(4-benzyl-2-methyl-1,4-diazepan-1-yl)-3-methyl-4-oxobutanenitrile
CID 126826712
2-(4-benzyl-2-methyl-1,4-diazepan-1-yl)acetic acid
CID 119137919
[(2R)-4-benzyl-2-methyl-1,4-diazepan-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 95635280
N-(1-benzylpiperidin-3-yl)butanamide
CID 60756097
[(2R)-4-benzyl-2-methyl-1,4-diazepan-1-yl]-(3-methylimidazol-4-yl)methanone
CID 100647026
3-[2-(4-benzyl-2-methyl-1,4-diazepan-1-yl)-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one
CID 136527409
[(2S)-4-benzyl-2-methylpiperazin-1-yl]-phenylmethanone
CID 129363222

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-methyl-N-[2-oxo-2-(propylamino)ethyl]-1,4-diazepane-1-carboxamide?
The IUPAC name of 4-benzyl-2-methyl-N-[2-oxo-2-(propylamino)ethyl]-1,4-diazepane-1-carboxamide (CID 136527494) is 4-benzyl-2-methyl-N-[2-oxo-2-(propylamino)ethyl]-1,4-diazepane-1-carboxamide.
What is the SMILES notation for 4-benzyl-2-methyl-N-[2-oxo-2-(propylamino)ethyl]-1,4-diazepane-1-carboxamide?
The canonical SMILES for 4-benzyl-2-methyl-N-[2-oxo-2-(propylamino)ethyl]-1,4-diazepane-1-carboxamide is CCCNC(=O)CNC(=O)N1CCCN(Cc2ccccc2)CC1C.
What is the InChIKey of 4-benzyl-2-methyl-N-[2-oxo-2-(propylamino)ethyl]-1,4-diazepane-1-carboxamide?
The InChIKey is GKFBJWNRVQDWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-3-10-20-18(24)13-21-19(25)23-12-7-11-22(14-16(23)2)15-17-8-5-4-6-9-17/h4-6,8-9,16H,3,7,10-15H2,1-2H3,(H,20,24)(H,21,25).
What are the key properties of 4-benzyl-2-methyl-N-[2-oxo-2-(propylamino)ethyl]-1,4-diazepane-1-carboxamide?
4-benzyl-2-methyl-N-[2-oxo-2-(propylamino)ethyl]-1,4-diazepane-1-carboxamide has a molecular weight of 346.48 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-methyl-N-[2-oxo-2-(propylamino)ethyl]-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 136527494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).