N-(3,4-dimethoxyphenyl)azepane-2-carboxamide

C15H22N2O3 — CID 64562794

IUPACN-(3,4-dimethoxyphenyl)azepane-2-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCCCN2)cc1OC
InChIInChI=1S/C15H22N2O3/c1-19-13-8-7-11(10-14(13)20-2)17-15(18)12-6-4-3-5-9-16-12/h7-8,10,12,16H,3-6,9H2,1-2H3,(H,17,18)
InChIKeyIPTYCNPNWWVIBL-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.17
Rot. Bonds4

About N-(3,4-dimethoxyphenyl)azepane-2-carboxamide

N-(3,4-dimethoxyphenyl)azepane-2-carboxamide (PubChem CID 64562794) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)azepane-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)azepane-2-carboxamide
PubChem CID64562794
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-(3,4-dimethoxyphenyl)azepane-2-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCCCN2)cc1OC
InChIInChI=1S/C15H22N2O3/c1-19-13-8-7-11(10-14(13)20-2)17-15(18)12-6-4-3-5-9-16-12/h7-8,10,12,16H,3-6,9H2,1-2H3,(H,17,18)
InChIKeyIPTYCNPNWWVIBL-UHFFFAOYSA-N
XLogP2.17
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(3,4-dimethoxyphenyl)piperidine-2-carboxamide;hydrochloride
CID 119673647
(2S)-N-(3-ethoxy-4-methoxyphenyl)piperidine-2-carboxamide
CID 103808938
N-(3-ethoxy-4-methoxyphenyl)piperidine-2-carboxamide
CID 43712591
N-(4-chloro-3-methoxyphenyl)azepane-2-carboxamide
CID 107621689
(2R)-N-(4-methoxy-3-methylphenyl)piperidine-2-carboxamide
CID 94222952
(2S)-N-(3-ethoxy-4-methoxyphenyl)piperidine-2-carboxamide;hydrochloride
CID 119717666
(2S)-N-(4-acetamido-3-methoxyphenyl)piperidine-2-carboxamide
CID 103808843
(2R)-N-(3-ethoxy-4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 103795109
(2R)-N-[3-(difluoromethoxy)-4-methoxyphenyl]pyrrolidine-2-carboxamide
CID 103794468
N-[4-(methanesulfonamido)-3-methoxyphenyl]piperidine-2-carboxamide;hydrochloride
CID 119282638
(2R)-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]pyrrolidine-2-carboxamide
CID 104900490
(2S)-N-(3,4,5-trimethoxyphenyl)piperidine-2-carboxamide;hydrochloride
CID 119671461

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)azepane-2-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)azepane-2-carboxamide (CID 64562794) is N-(3,4-dimethoxyphenyl)azepane-2-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)azepane-2-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)azepane-2-carboxamide is COc1ccc(NC(=O)C2CCCCCN2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)azepane-2-carboxamide?
The InChIKey is IPTYCNPNWWVIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-19-13-8-7-11(10-14(13)20-2)17-15(18)12-6-4-3-5-9-16-12/h7-8,10,12,16H,3-6,9H2,1-2H3,(H,17,18).
What are the key properties of N-(3,4-dimethoxyphenyl)azepane-2-carboxamide?
N-(3,4-dimethoxyphenyl)azepane-2-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)azepane-2-carboxamide is sourced from PubChem (CID 64562794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).