4-benzyl-N,3-diethyl-5-oxo-1,4-diazepane-1-carboxamide

C17H25N3O2 — CID 56878549

IUPAC4-benzyl-N,3-diethyl-5-oxo-1,4-diazepane-1-carboxamide
SMILESCCNC(=O)N1CCC(=O)N(Cc2ccccc2)C(CC)C1
InChIInChI=1S/C17H25N3O2/c1-3-15-13-19(17(22)18-4-2)11-10-16(21)20(15)12-14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3,(H,18,22)
InChIKeyZAMARXSFZFOCEU-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.23
Rot. Bonds4

About 4-benzyl-N,3-diethyl-5-oxo-1,4-diazepane-1-carboxamide

4-benzyl-N,3-diethyl-5-oxo-1,4-diazepane-1-carboxamide (PubChem CID 56878549) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 4-benzyl-N,3-diethyl-5-oxo-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound Name4-benzyl-N,3-diethyl-5-oxo-1,4-diazepane-1-carboxamide
PubChem CID56878549
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name4-benzyl-N,3-diethyl-5-oxo-1,4-diazepane-1-carboxamide
SMILESCCNC(=O)N1CCC(=O)N(Cc2ccccc2)C(CC)C1
InChIInChI=1S/C17H25N3O2/c1-3-15-13-19(17(22)18-4-2)11-10-16(21)20(15)12-14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3,(H,18,22)
InChIKeyZAMARXSFZFOCEU-UHFFFAOYSA-N
XLogP2.23
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-4-benzyl-N,3-diethyl-5-oxo-1,4-diazepane-1-carboxamide
CID 95557958
4-benzyl-3-ethyl-1-[2-(methylamino)acetyl]-1,4-diazepan-5-one
CID 56874749
4-benzyl-3-ethyl-1-(1H-pyrrole-2-carbonyl)-1,4-diazepan-5-one
CID 56874335
(3S)-4-benzyl-1-(cyclobutanecarbonyl)-3-ethyl-1,4-diazepan-5-one
CID 95402573
(3R)-4-benzyl-3-ethyl-1-(2-methoxyacetyl)-1,4-diazepan-5-one
CID 95554793
4-benzyl-1-[2-(dimethylamino)acetyl]-3-ethyl-1,4-diazepan-5-one
CID 56871600
(3R)-4-benzyl-3-ethyl-1-(2-oxo-1H-pyridine-3-carbonyl)-1,4-diazepan-5-one
CID 95559006
4-benzyl-3-ethyl-1-(1H-pyrazole-5-carbonyl)-1,4-diazepan-5-one
CID 56863506
2-[(3S)-4-benzyl-3-ethyl-5-oxo-1,4-diazepan-1-yl]-N-cyclopentyl-2-oxoacetamide
CID 95401387
(3S)-4-benzyl-3-ethyl-1-(6-oxo-1H-pyridazine-3-carbonyl)-1,4-diazepan-5-one
CID 95559122
(3R)-4-benzyl-3-ethyl-1-(6-oxo-1H-pyridazine-3-carbonyl)-1,4-diazepan-5-one
CID 95559121
4-benzyl-3-ethyl-1-(2-hydroxy-3-methylbenzoyl)-1,4-diazepan-5-one
CID 56879731

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N,3-diethyl-5-oxo-1,4-diazepane-1-carboxamide?
The IUPAC name of 4-benzyl-N,3-diethyl-5-oxo-1,4-diazepane-1-carboxamide (CID 56878549) is 4-benzyl-N,3-diethyl-5-oxo-1,4-diazepane-1-carboxamide.
What is the SMILES notation for 4-benzyl-N,3-diethyl-5-oxo-1,4-diazepane-1-carboxamide?
The canonical SMILES for 4-benzyl-N,3-diethyl-5-oxo-1,4-diazepane-1-carboxamide is CCNC(=O)N1CCC(=O)N(Cc2ccccc2)C(CC)C1.
What is the InChIKey of 4-benzyl-N,3-diethyl-5-oxo-1,4-diazepane-1-carboxamide?
The InChIKey is ZAMARXSFZFOCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-3-15-13-19(17(22)18-4-2)11-10-16(21)20(15)12-14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3,(H,18,22).
What are the key properties of 4-benzyl-N,3-diethyl-5-oxo-1,4-diazepane-1-carboxamide?
4-benzyl-N,3-diethyl-5-oxo-1,4-diazepane-1-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N,3-diethyl-5-oxo-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 56878549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).