N-[4-(4-acetyl-1,4-diazepane-1-carbonyl)phenyl]cyclopropanecarboxamide

C18H23N3O3 — CID 134061665

IUPACN-[4-(4-acetyl-1,4-diazepane-1-carbonyl)phenyl]cyclopropanecarboxamide
SMILESCC(=O)N1CCCN(C(=O)c2ccc(NC(=O)C3CC3)cc2)CC1
InChIInChI=1S/C18H23N3O3/c1-13(22)20-9-2-10-21(12-11-20)18(24)15-5-7-16(8-6-15)19-17(23)14-3-4-14/h5-8,14H,2-4,9-12H2,1H3,(H,19,23)
InChIKeyUKLXCFJUBAWWRG-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.73
Rot. Bonds3

About N-[4-(4-acetyl-1,4-diazepane-1-carbonyl)phenyl]cyclopropanecarboxamide

N-[4-(4-acetyl-1,4-diazepane-1-carbonyl)phenyl]cyclopropanecarboxamide (PubChem CID 134061665) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[4-(4-acetyl-1,4-diazepane-1-carbonyl)phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-(4-acetyl-1,4-diazepane-1-carbonyl)phenyl]cyclopropanecarboxamide
PubChem CID134061665
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-[4-(4-acetyl-1,4-diazepane-1-carbonyl)phenyl]cyclopropanecarboxamide
SMILESCC(=O)N1CCCN(C(=O)c2ccc(NC(=O)C3CC3)cc2)CC1
InChIInChI=1S/C18H23N3O3/c1-13(22)20-9-2-10-21(12-11-20)18(24)15-5-7-16(8-6-15)19-17(23)14-3-4-14/h5-8,14H,2-4,9-12H2,1H3,(H,19,23)
InChIKeyUKLXCFJUBAWWRG-UHFFFAOYSA-N
XLogP1.73
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[4-(cyclopropanecarbonyl)-1,4-diazepane-1-carbonyl]phenyl]acetamide
CID 110806427
N-[4-(cyclopropanecarbonylamino)phenyl]-4-(4-fluorobenzoyl)-1,4-diazepane-1-carboxamide
CID 112825359
N-(4-acetylphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145710
N-[4-(1,4-diazepane-1-carbonyl)phenyl]cyclopropanecarboxamide;hydrochloride
CID 119418264
N-[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide;hydrochloride
CID 119493216
N-(4-acetamidophenyl)-1-(4-bromobenzoyl)piperidine-4-carboxamide
CID 35049074
N-(4-acetylphenyl)-1-(4-methylbenzoyl)piperidine-4-carboxamide
CID 113007858
1-[4-(cyclopropanecarbonylamino)benzoyl]-N-ethylpiperidine-4-carboxamide
CID 32994989
(E)-3-cyclopropyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]but-2-enamide
CID 167944713
1-(4-acetamidobenzoyl)-N-methylpiperidine-4-carboxamide
CID 20973013
4-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
CID 119177742
3-amino-N-[4-(pyrrolidine-1-carbonyl)phenyl]cyclohexane-1-carboxamide
CID 119702395

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetyl-1,4-diazepane-1-carbonyl)phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-(4-acetyl-1,4-diazepane-1-carbonyl)phenyl]cyclopropanecarboxamide (CID 134061665) is N-[4-(4-acetyl-1,4-diazepane-1-carbonyl)phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-(4-acetyl-1,4-diazepane-1-carbonyl)phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-(4-acetyl-1,4-diazepane-1-carbonyl)phenyl]cyclopropanecarboxamide is CC(=O)N1CCCN(C(=O)c2ccc(NC(=O)C3CC3)cc2)CC1.
What is the InChIKey of N-[4-(4-acetyl-1,4-diazepane-1-carbonyl)phenyl]cyclopropanecarboxamide?
The InChIKey is UKLXCFJUBAWWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-13(22)20-9-2-10-21(12-11-20)18(24)15-5-7-16(8-6-15)19-17(23)14-3-4-14/h5-8,14H,2-4,9-12H2,1H3,(H,19,23).
What are the key properties of N-[4-(4-acetyl-1,4-diazepane-1-carbonyl)phenyl]cyclopropanecarboxamide?
N-[4-(4-acetyl-1,4-diazepane-1-carbonyl)phenyl]cyclopropanecarboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-acetyl-1,4-diazepane-1-carbonyl)phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 134061665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).