N-[3-(5-oxo-1,4-diazepane-1-carbonyl)phenyl]acetamide

C14H17N3O3 — CID 62044906

IUPACN-[3-(5-oxo-1,4-diazepane-1-carbonyl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(=O)N2CCNC(=O)CC2)c1
InChIInChI=1S/C14H17N3O3/c1-10(18)16-12-4-2-3-11(9-12)14(20)17-7-5-13(19)15-6-8-17/h2-4,9H,5-8H2,1H3,(H,15,19)(H,16,18)
InChIKeySDGXBFGZARBXRS-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.61
Rot. Bonds2

About N-[3-(5-oxo-1,4-diazepane-1-carbonyl)phenyl]acetamide

N-[3-(5-oxo-1,4-diazepane-1-carbonyl)phenyl]acetamide (PubChem CID 62044906) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-[3-(5-oxo-1,4-diazepane-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(5-oxo-1,4-diazepane-1-carbonyl)phenyl]acetamide
PubChem CID62044906
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN-[3-(5-oxo-1,4-diazepane-1-carbonyl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(=O)N2CCNC(=O)CC2)c1
InChIInChI=1S/C14H17N3O3/c1-10(18)16-12-4-2-3-11(9-12)14(20)17-7-5-13(19)15-6-8-17/h2-4,9H,5-8H2,1H3,(H,15,19)(H,16,18)
InChIKeySDGXBFGZARBXRS-UHFFFAOYSA-N
XLogP0.61
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-iodobenzoyl)-1,4-diazepan-5-one
CID 60707871
N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide
CID 47289091
N-[3-[4-(3-chlorobenzoyl)piperazine-1-carbonyl]phenyl]acetamide
CID 33140395
4-(3-acetamidobenzoyl)-N,N-dimethylpiperazine-1-carboxamide
CID 38724570
N-(3-aminophenyl)-5-oxo-1,4-diazepane-1-carboxamide
CID 55134304
N-[3-(3,4-dihydroxypyrrolidine-1-carbonyl)phenyl]acetamide
CID 106671409
N-[3-(1-hydroxyethyl)phenyl]-5-oxo-1,4-diazepane-1-carboxamide
CID 62997925
N-[3-[4-(2-methylbenzoyl)piperazine-1-carbonyl]phenyl]acetamide
CID 110365637
methyl 4-(3-acetamidobenzoyl)-1,4-diazepane-1-carboxylate
CID 110808690
1-(3-amino-4-methylbenzoyl)-1,4-diazepan-5-one
CID 63003194
N-[3-(3-hydroxyazetidine-1-carbonyl)phenyl]acetamide
CID 55178587
N-(3-cyanophenyl)-5-oxo-1,4-diazepane-1-carboxamide
CID 60969059

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-oxo-1,4-diazepane-1-carbonyl)phenyl]acetamide?
The IUPAC name of N-[3-(5-oxo-1,4-diazepane-1-carbonyl)phenyl]acetamide (CID 62044906) is N-[3-(5-oxo-1,4-diazepane-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for N-[3-(5-oxo-1,4-diazepane-1-carbonyl)phenyl]acetamide?
The canonical SMILES for N-[3-(5-oxo-1,4-diazepane-1-carbonyl)phenyl]acetamide is CC(=O)Nc1cccc(C(=O)N2CCNC(=O)CC2)c1.
What is the InChIKey of N-[3-(5-oxo-1,4-diazepane-1-carbonyl)phenyl]acetamide?
The InChIKey is SDGXBFGZARBXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-10(18)16-12-4-2-3-11(9-12)14(20)17-7-5-13(19)15-6-8-17/h2-4,9H,5-8H2,1H3,(H,15,19)(H,16,18).
What are the key properties of N-[3-(5-oxo-1,4-diazepane-1-carbonyl)phenyl]acetamide?
N-[3-(5-oxo-1,4-diazepane-1-carbonyl)phenyl]acetamide has a molecular weight of 275.31 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-oxo-1,4-diazepane-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 62044906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).