N-[cyclopropyl(phenyl)methyl]azepane-2-carboxamide

C17H24N2O — CID 64564390

IUPACN-[cyclopropyl(phenyl)methyl]azepane-2-carboxamide
SMILESO=C(NC(c1ccccc1)C1CC1)C1CCCCCN1
InChIInChI=1S/C17H24N2O/c20-17(15-9-5-2-6-12-18-15)19-16(14-10-11-14)13-7-3-1-4-8-13/h1,3-4,7-8,14-16,18H,2,5-6,9-12H2,(H,19,20)
InChIKeySZFDUGZQMKSVKT-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.79
Rot. Bonds4

About N-[cyclopropyl(phenyl)methyl]azepane-2-carboxamide

N-[cyclopropyl(phenyl)methyl]azepane-2-carboxamide (PubChem CID 64564390) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-[cyclopropyl(phenyl)methyl]azepane-2-carboxamide.

Molecular Properties

Compound NameN-[cyclopropyl(phenyl)methyl]azepane-2-carboxamide
PubChem CID64564390
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-[cyclopropyl(phenyl)methyl]azepane-2-carboxamide
SMILESO=C(NC(c1ccccc1)C1CC1)C1CCCCCN1
InChIInChI=1S/C17H24N2O/c20-17(15-9-5-2-6-12-18-15)19-16(14-10-11-14)13-7-3-1-4-8-13/h1,3-4,7-8,14-16,18H,2,5-6,9-12H2,(H,19,20)
InChIKeySZFDUGZQMKSVKT-UHFFFAOYSA-N
XLogP2.79
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyclopropyl(phenyl)methyl]piperidine-2-carboxamide
CID 43709653
N-[(1R)-1-phenylethyl]azepane-2-carboxamide
CID 78996687
N-[(1S)-1-phenylethyl]piperidine-2-carboxamide
CID 15445575
(2S)-N-benzhydrylpyrrolidine-2-carboxamide
CID 10663256
(2S)-N-[cyclopropyl-(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 61253815
(2S)-N-[(S)-hydroxy(phenyl)methyl]pyrrolidine-2-carboxamide
CID 101392822
N-[(R)-cyclohexyl(phenyl)methyl]cyclobutanecarboxamide
CID 39025533
(2R)-N-(1-phenylbutyl)piperidine-2-carboxamide
CID 104913042
(2S)-N-(1-phenylbutyl)piperidine-2-carboxamide
CID 104913043
N-(1-phenylethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119261657
(2R)-N-[(R)-cyclopropyl(phenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 95283633
N-[(1R)-2-hydroxy-1-phenylethyl]pyrrolidine-2-carboxamide
CID 107863240

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(phenyl)methyl]azepane-2-carboxamide?
The IUPAC name of N-[cyclopropyl(phenyl)methyl]azepane-2-carboxamide (CID 64564390) is N-[cyclopropyl(phenyl)methyl]azepane-2-carboxamide.
What is the SMILES notation for N-[cyclopropyl(phenyl)methyl]azepane-2-carboxamide?
The canonical SMILES for N-[cyclopropyl(phenyl)methyl]azepane-2-carboxamide is O=C(NC(c1ccccc1)C1CC1)C1CCCCCN1.
What is the InChIKey of N-[cyclopropyl(phenyl)methyl]azepane-2-carboxamide?
The InChIKey is SZFDUGZQMKSVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c20-17(15-9-5-2-6-12-18-15)19-16(14-10-11-14)13-7-3-1-4-8-13/h1,3-4,7-8,14-16,18H,2,5-6,9-12H2,(H,19,20).
What are the key properties of N-[cyclopropyl(phenyl)methyl]azepane-2-carboxamide?
N-[cyclopropyl(phenyl)methyl]azepane-2-carboxamide has a molecular weight of 272.39 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(phenyl)methyl]azepane-2-carboxamide is sourced from PubChem (CID 64564390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).