2-(azepan-1-yl)-N-[(4-methoxyphenyl)methyl]propanamide

C17H26N2O2 — CID 42997740

IUPAC2-(azepan-1-yl)-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CNC(=O)C(C)N2CCCCCC2)cc1
InChIInChI=1S/C17H26N2O2/c1-14(19-11-5-3-4-6-12-19)17(20)18-13-15-7-9-16(21-2)10-8-15/h7-10,14H,3-6,11-13H2,1-2H3,(H,18,20)
InChIKeyLWQQFJYEZAFZPR-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.58
Rot. Bonds5

About 2-(azepan-1-yl)-N-[(4-methoxyphenyl)methyl]propanamide

2-(azepan-1-yl)-N-[(4-methoxyphenyl)methyl]propanamide (PubChem CID 42997740) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-[(4-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-[(4-methoxyphenyl)methyl]propanamide
PubChem CID42997740
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-(azepan-1-yl)-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CNC(=O)C(C)N2CCCCCC2)cc1
InChIInChI=1S/C17H26N2O2/c1-14(19-11-5-3-4-6-12-19)17(20)18-13-15-7-9-16(21-2)10-8-15/h7-10,14H,3-6,11-13H2,1-2H3,(H,18,20)
InChIKeyLWQQFJYEZAFZPR-UHFFFAOYSA-N
XLogP2.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(azocan-1-yl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 2539196
(2S)-N-[(4-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)propanamide
CID 1439182
N-[(4-methoxyphenyl)methyl]-2-piperazin-1-ylpropanamide
CID 43089556
(2R)-N-[(4-methoxyphenyl)methyl]-2-(4-phenylpiperazin-1-yl)propanamide
CID 40680683
(2R)-2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 11931788
2-(azepan-1-yl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]propanamide
CID 111430562
(2R)-N-[(4-methoxyphenyl)methyl]-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propanamide
CID 26709367
2-(4-methoxyphenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 46767803
(2S)-N-[(4-methoxyphenyl)methyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]propanamide
CID 95308982
(2S)-N-benzyl-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propanamide
CID 2471637
(2S)-2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 9258253
(2S)-2-hydroxy-N-[(4-methoxyphenyl)methyl]propanamide
CID 175748311

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-[(4-methoxyphenyl)methyl]propanamide?
The IUPAC name of 2-(azepan-1-yl)-N-[(4-methoxyphenyl)methyl]propanamide (CID 42997740) is 2-(azepan-1-yl)-N-[(4-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-[(4-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 2-(azepan-1-yl)-N-[(4-methoxyphenyl)methyl]propanamide is COc1ccc(CNC(=O)C(C)N2CCCCCC2)cc1.
What is the InChIKey of 2-(azepan-1-yl)-N-[(4-methoxyphenyl)methyl]propanamide?
The InChIKey is LWQQFJYEZAFZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-14(19-11-5-3-4-6-12-19)17(20)18-13-15-7-9-16(21-2)10-8-15/h7-10,14H,3-6,11-13H2,1-2H3,(H,18,20).
What are the key properties of 2-(azepan-1-yl)-N-[(4-methoxyphenyl)methyl]propanamide?
2-(azepan-1-yl)-N-[(4-methoxyphenyl)methyl]propanamide has a molecular weight of 290.41 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-[(4-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 42997740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).