3-(azepan-1-yl)-N-(2,4-dimethoxyphenyl)propanamide;hydrochloride

C17H27ClN2O3 — CID 2901116

IUPAC3-(azepan-1-yl)-N-(2,4-dimethoxyphenyl)propanamide;hydrochloride
SMILESCOc1ccc(NC(=O)CCN2CCCCCC2)c(OC)c1.Cl
InChIInChI=1S/C17H26N2O3.ClH/c1-21-14-7-8-15(16(13-14)22-2)18-17(20)9-12-19-10-5-3-4-6-11-19;/h7-8,13H,3-6,9-12H2,1-2H3,(H,18,20);1H
InChIKeyHDLSMHHUAYBNLZ-UHFFFAOYSA-N
MW342.87 g/mol
LogP3.33
Rot. Bonds6

About 3-(azepan-1-yl)-N-(2,4-dimethoxyphenyl)propanamide;hydrochloride

3-(azepan-1-yl)-N-(2,4-dimethoxyphenyl)propanamide;hydrochloride (PubChem CID 2901116) has the molecular formula C17H27ClN2O3 and a molecular weight of 342.87 g/mol. Its IUPAC name is 3-(azepan-1-yl)-N-(2,4-dimethoxyphenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-(azepan-1-yl)-N-(2,4-dimethoxyphenyl)propanamide;hydrochloride
PubChem CID2901116
Molecular FormulaC17H27ClN2O3
Molecular Weight342.87 g/mol
Exact Mass342.17
IUPAC Name3-(azepan-1-yl)-N-(2,4-dimethoxyphenyl)propanamide;hydrochloride
SMILESCOc1ccc(NC(=O)CCN2CCCCCC2)c(OC)c1.Cl
InChIInChI=1S/C17H26N2O3.ClH/c1-21-14-7-8-15(16(13-14)22-2)18-17(20)9-12-19-10-5-3-4-6-11-19;/h7-8,13H,3-6,9-12H2,1-2H3,(H,18,20);1H
InChIKeyHDLSMHHUAYBNLZ-UHFFFAOYSA-N
XLogP3.33
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 91830032
N-(2,4-dimethoxyphenyl)-3-(1-oxa-7-azaspiro[3.5]nonan-7-yl)propanamide
CID 91839507
N-(2,4-dimethoxyphenyl)-3-(4-hydroxy-4-phenylpiperidin-1-yl)propanamide
CID 50980551
N-(2,4-dimethoxyphenyl)-3-(2,5-dimethylpyrrol-1-yl)propanamide
CID 110689020
2,4-dimethoxy-N-(3-piperidin-1-ylpropyl)aniline
CID 82093801
3-(4-acetylpiperazin-1-yl)-N-(2,5-dimethoxyphenyl)propanamide
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N-(2,4-dimethoxyphenyl)-3-[(1S,5R)-10-oxo-3,9-diazabicyclo[3.3.2]decan-3-yl]propanamide
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3-[3-(2,4-dimethoxyanilino)-3-oxopropyl]sulfanyl-N-(2,4-dimethoxyphenyl)propanamide
CID 2933269
3-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)propanamide
CID 109033634
N-(2-amino-4-methoxyphenyl)-3-(1,4-oxazepan-4-yl)propanamide
CID 62988964
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CID 16779280

Frequently Asked Questions

What is the IUPAC name of 3-(azepan-1-yl)-N-(2,4-dimethoxyphenyl)propanamide;hydrochloride?
The IUPAC name of 3-(azepan-1-yl)-N-(2,4-dimethoxyphenyl)propanamide;hydrochloride (CID 2901116) is 3-(azepan-1-yl)-N-(2,4-dimethoxyphenyl)propanamide;hydrochloride.
What is the SMILES notation for 3-(azepan-1-yl)-N-(2,4-dimethoxyphenyl)propanamide;hydrochloride?
The canonical SMILES for 3-(azepan-1-yl)-N-(2,4-dimethoxyphenyl)propanamide;hydrochloride is COc1ccc(NC(=O)CCN2CCCCCC2)c(OC)c1.Cl.
What is the InChIKey of 3-(azepan-1-yl)-N-(2,4-dimethoxyphenyl)propanamide;hydrochloride?
The InChIKey is HDLSMHHUAYBNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3.ClH/c1-21-14-7-8-15(16(13-14)22-2)18-17(20)9-12-19-10-5-3-4-6-11-19;/h7-8,13H,3-6,9-12H2,1-2H3,(H,18,20);1H.
What are the key properties of 3-(azepan-1-yl)-N-(2,4-dimethoxyphenyl)propanamide;hydrochloride?
3-(azepan-1-yl)-N-(2,4-dimethoxyphenyl)propanamide;hydrochloride has a molecular weight of 342.87 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepan-1-yl)-N-(2,4-dimethoxyphenyl)propanamide;hydrochloride is sourced from PubChem (CID 2901116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).