4-benzyl-3-ethyl-1-(1H-indole-6-carbonyl)-1,4-diazepan-5-one

C23H25N3O2 — CID 56863684

IUPAC4-benzyl-3-ethyl-1-(1H-indole-6-carbonyl)-1,4-diazepan-5-one
SMILESCCC1CN(C(=O)c2ccc3cc[nH]c3c2)CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C23H25N3O2/c1-2-20-16-25(23(28)19-9-8-18-10-12-24-21(18)14-19)13-11-22(27)26(20)15-17-6-4-3-5-7-17/h3-10,12,14,20,24H,2,11,13,15-16H2,1H3
InChIKeyKTUCWACUTPJHNZ-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.82
Rot. Bonds4

About 4-benzyl-3-ethyl-1-(1H-indole-6-carbonyl)-1,4-diazepan-5-one

4-benzyl-3-ethyl-1-(1H-indole-6-carbonyl)-1,4-diazepan-5-one (PubChem CID 56863684) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 4-benzyl-3-ethyl-1-(1H-indole-6-carbonyl)-1,4-diazepan-5-one.

Molecular Properties

Compound Name4-benzyl-3-ethyl-1-(1H-indole-6-carbonyl)-1,4-diazepan-5-one
PubChem CID56863684
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name4-benzyl-3-ethyl-1-(1H-indole-6-carbonyl)-1,4-diazepan-5-one
SMILESCCC1CN(C(=O)c2ccc3cc[nH]c3c2)CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C23H25N3O2/c1-2-20-16-25(23(28)19-9-8-18-10-12-24-21(18)14-19)13-11-22(27)26(20)15-17-6-4-3-5-7-17/h3-10,12,14,20,24H,2,11,13,15-16H2,1H3
InChIKeyKTUCWACUTPJHNZ-UHFFFAOYSA-N
XLogP3.82
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3H-benzimidazole-5-carbonyl)-4-benzyl-3-ethyl-1,4-diazepan-5-one
CID 56874277
(3S)-4-benzyl-3-ethyl-1-(4-hydroxy-3-methylbenzoyl)-1,4-diazepan-5-one
CID 95545417
4-benzyl-3-ethyl-1-(1H-pyrrole-2-carbonyl)-1,4-diazepan-5-one
CID 56874335
(3R)-4-benzyl-1-(2-chloropyridine-4-carbonyl)-3-ethyl-1,4-diazepan-5-one
CID 95550865
4-benzyl-3-ethyl-1-(3-fluoro-4-methylbenzoyl)-1,4-diazepan-5-one
CID 56863902
(3R)-4-benzyl-3-ethyl-1-(4-hydroxy-3-methoxybenzoyl)-1,4-diazepan-5-one
CID 95551973
(3R)-4-benzyl-3-ethyl-1-(2-oxo-1H-pyridine-3-carbonyl)-1,4-diazepan-5-one
CID 95559006
(3S)-4-benzyl-3-ethyl-1-(2-propylpyridine-4-carbonyl)-1,4-diazepan-5-one
CID 95559831
4-benzyl-3-ethyl-1-(5-methylpyridine-3-carbonyl)-1,4-diazepan-5-one
CID 56874142
(3R)-4-benzyl-3-ethyl-1-(2-ethylpyrimidine-5-carbonyl)-1,4-diazepan-5-one
CID 95551067
4-benzyl-3-ethyl-1-(1H-pyrazole-5-carbonyl)-1,4-diazepan-5-one
CID 56863506
(3R)-4-benzyl-N,3-diethyl-5-oxo-1,4-diazepane-1-carboxamide
CID 95557958

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3-ethyl-1-(1H-indole-6-carbonyl)-1,4-diazepan-5-one?
The IUPAC name of 4-benzyl-3-ethyl-1-(1H-indole-6-carbonyl)-1,4-diazepan-5-one (CID 56863684) is 4-benzyl-3-ethyl-1-(1H-indole-6-carbonyl)-1,4-diazepan-5-one.
What is the SMILES notation for 4-benzyl-3-ethyl-1-(1H-indole-6-carbonyl)-1,4-diazepan-5-one?
The canonical SMILES for 4-benzyl-3-ethyl-1-(1H-indole-6-carbonyl)-1,4-diazepan-5-one is CCC1CN(C(=O)c2ccc3cc[nH]c3c2)CCC(=O)N1Cc1ccccc1.
What is the InChIKey of 4-benzyl-3-ethyl-1-(1H-indole-6-carbonyl)-1,4-diazepan-5-one?
The InChIKey is KTUCWACUTPJHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-2-20-16-25(23(28)19-9-8-18-10-12-24-21(18)14-19)13-11-22(27)26(20)15-17-6-4-3-5-7-17/h3-10,12,14,20,24H,2,11,13,15-16H2,1H3.
What are the key properties of 4-benzyl-3-ethyl-1-(1H-indole-6-carbonyl)-1,4-diazepan-5-one?
4-benzyl-3-ethyl-1-(1H-indole-6-carbonyl)-1,4-diazepan-5-one has a molecular weight of 375.47 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3-ethyl-1-(1H-indole-6-carbonyl)-1,4-diazepan-5-one is sourced from PubChem (CID 56863684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).