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

C18H28N2O2 — CID 86918659

IUPAC2-(azepan-1-yl)-N-[1-(2-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccccc1C(C)NC(=O)C(C)N1CCCCCC1
InChIInChI=1S/C18H28N2O2/c1-14(16-10-6-7-11-17(16)22-3)19-18(21)15(2)20-12-8-4-5-9-13-20/h6-7,10-11,14-15H,4-5,8-9,12-13H2,1-3H3,(H,19,21)
InChIKeyHFYDLRMUPHSCGA-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.14
Rot. Bonds5

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

2-(azepan-1-yl)-N-[1-(2-methoxyphenyl)ethyl]propanamide (PubChem CID 86918659) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-[1-(2-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-[1-(2-methoxyphenyl)ethyl]propanamide
PubChem CID86918659
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name2-(azepan-1-yl)-N-[1-(2-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccccc1C(C)NC(=O)C(C)N1CCCCCC1
InChIInChI=1S/C18H28N2O2/c1-14(16-10-6-7-11-17(16)22-3)19-18(21)15(2)20-12-8-4-5-9-13-20/h6-7,10-11,14-15H,4-5,8-9,12-13H2,1-3H3,(H,19,21)
InChIKeyHFYDLRMUPHSCGA-UHFFFAOYSA-N
XLogP3.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(azepan-1-yl)-N-[1-(2-methoxyphenyl)ethyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 134038219
2-[4-(hydroxymethyl)piperidin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 110891645
2-amino-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 60718632
2-bromo-N-[(1R)-1-(2-methoxyphenyl)ethyl]propanamide
CID 107905549
2-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]propanamide
CID 81387938
2-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-methylbutanamide
CID 81387944
1-[1-[1-(2,5-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 119907878
(2R)-2-(azocan-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 9460394
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylpropanamide
CID 17392933
(2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide
CID 9249291
(2S,3S)-2-amino-N-[1-(2-methoxyphenyl)ethyl]-3-methylpentanamide
CID 61260006
2-amino-3-methoxy-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 81089691

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-[1-(2-methoxyphenyl)ethyl]propanamide?
The IUPAC name of 2-(azepan-1-yl)-N-[1-(2-methoxyphenyl)ethyl]propanamide (CID 86918659) is 2-(azepan-1-yl)-N-[1-(2-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-[1-(2-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for 2-(azepan-1-yl)-N-[1-(2-methoxyphenyl)ethyl]propanamide is COc1ccccc1C(C)NC(=O)C(C)N1CCCCCC1.
What is the InChIKey of 2-(azepan-1-yl)-N-[1-(2-methoxyphenyl)ethyl]propanamide?
The InChIKey is HFYDLRMUPHSCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-14(16-10-6-7-11-17(16)22-3)19-18(21)15(2)20-12-8-4-5-9-13-20/h6-7,10-11,14-15H,4-5,8-9,12-13H2,1-3H3,(H,19,21).
What are the key properties of 2-(azepan-1-yl)-N-[1-(2-methoxyphenyl)ethyl]propanamide?
2-(azepan-1-yl)-N-[1-(2-methoxyphenyl)ethyl]propanamide has a molecular weight of 304.43 g/mol, XLogP of 3.14, 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-[1-(2-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 86918659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).