N-[2-(azepan-1-yl)phenyl]-2,3-dimethoxybenzamide

C21H26N2O3 — CID 55548838

IUPACN-[2-(azepan-1-yl)phenyl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccccc2N2CCCCCC2)c1OC
InChIInChI=1S/C21H26N2O3/c1-25-19-13-9-10-16(20(19)26-2)21(24)22-17-11-5-6-12-18(17)23-14-7-3-4-8-15-23/h5-6,9-13H,3-4,7-8,14-15H2,1-2H3,(H,22,24)
InChIKeyJETNLGRCPDDSMN-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.34
Rot. Bonds5

About N-[2-(azepan-1-yl)phenyl]-2,3-dimethoxybenzamide

N-[2-(azepan-1-yl)phenyl]-2,3-dimethoxybenzamide (PubChem CID 55548838) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)phenyl]-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)phenyl]-2,3-dimethoxybenzamide
PubChem CID55548838
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-[2-(azepan-1-yl)phenyl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccccc2N2CCCCCC2)c1OC
InChIInChI=1S/C21H26N2O3/c1-25-19-13-9-10-16(20(19)26-2)21(24)22-17-11-5-6-12-18(17)23-14-7-3-4-8-15-23/h5-6,9-13H,3-4,7-8,14-15H2,1-2H3,(H,22,24)
InChIKeyJETNLGRCPDDSMN-UHFFFAOYSA-N
XLogP4.34
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dimethoxy-N-(2-piperidin-1-ylphenyl)benzamide
CID 6457289
2-methoxy-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 935026
N-(5-amino-2-piperidin-1-ylphenyl)-2-methoxybenzamide
CID 91675480
3-chloro-4,5-dimethoxy-N-(2-piperidin-1-ylphenyl)benzamide
CID 26520153
2-iodo-N-(2-piperidin-1-ylphenyl)benzamide
CID 1308785
2-hydroxy-5-methoxy-N-(2-piperidin-1-ylphenyl)benzamide
CID 112809580
N-(2,3-dimethoxyphenyl)-2-hydroxybenzamide
CID 90715346
N-(4-amino-2-chloro-5-pyrrolidin-1-ylphenyl)-2-methoxybenzamide
CID 50881913
2-methoxy-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 1422102
N-[3-methoxy-2-(piperidin-1-ylcarbamoyl)phenyl]naphthalene-1-carboxamide
CID 11553171
3,4-dimethoxy-5-prop-2-enyl-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 35359192
N-[2-(azepan-1-yl)phenyl]benzamide
CID 24652732

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)phenyl]-2,3-dimethoxybenzamide?
The IUPAC name of N-[2-(azepan-1-yl)phenyl]-2,3-dimethoxybenzamide (CID 55548838) is N-[2-(azepan-1-yl)phenyl]-2,3-dimethoxybenzamide.
What is the SMILES notation for N-[2-(azepan-1-yl)phenyl]-2,3-dimethoxybenzamide?
The canonical SMILES for N-[2-(azepan-1-yl)phenyl]-2,3-dimethoxybenzamide is COc1cccc(C(=O)Nc2ccccc2N2CCCCCC2)c1OC.
What is the InChIKey of N-[2-(azepan-1-yl)phenyl]-2,3-dimethoxybenzamide?
The InChIKey is JETNLGRCPDDSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-25-19-13-9-10-16(20(19)26-2)21(24)22-17-11-5-6-12-18(17)23-14-7-3-4-8-15-23/h5-6,9-13H,3-4,7-8,14-15H2,1-2H3,(H,22,24).
What are the key properties of N-[2-(azepan-1-yl)phenyl]-2,3-dimethoxybenzamide?
N-[2-(azepan-1-yl)phenyl]-2,3-dimethoxybenzamide has a molecular weight of 354.45 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)phenyl]-2,3-dimethoxybenzamide is sourced from PubChem (CID 55548838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).