N-[3-(azepan-1-yl)propyl]-2-(4-methoxy-3-methylphenyl)acetamide

C19H30N2O2 — CID 100689280

IUPACN-[3-(azepan-1-yl)propyl]-2-(4-methoxy-3-methylphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCCCN2CCCCCC2)cc1C
InChIInChI=1S/C19H30N2O2/c1-16-14-17(8-9-18(16)23-2)15-19(22)20-10-7-13-21-11-5-3-4-6-12-21/h8-9,14H,3-7,10-13,15H2,1-2H3,(H,20,22)
InChIKeyQZIYLCNBAYOYLV-UHFFFAOYSA-N
MW318.46 g/mol
LogP2.93
Rot. Bonds7

About N-[3-(azepan-1-yl)propyl]-2-(4-methoxy-3-methylphenyl)acetamide

N-[3-(azepan-1-yl)propyl]-2-(4-methoxy-3-methylphenyl)acetamide (PubChem CID 100689280) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is N-[3-(azepan-1-yl)propyl]-2-(4-methoxy-3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(azepan-1-yl)propyl]-2-(4-methoxy-3-methylphenyl)acetamide
PubChem CID100689280
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC NameN-[3-(azepan-1-yl)propyl]-2-(4-methoxy-3-methylphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCCCN2CCCCCC2)cc1C
InChIInChI=1S/C19H30N2O2/c1-16-14-17(8-9-18(16)23-2)15-19(22)20-10-7-13-21-11-5-3-4-6-12-21/h8-9,14H,3-7,10-13,15H2,1-2H3,(H,20,22)
InChIKeyQZIYLCNBAYOYLV-UHFFFAOYSA-N
XLogP2.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxyphenyl)-N-(3-piperidin-1-ylpropyl)acetamide
CID 92674422
N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-(4-methoxy-3-methylphenyl)acetamide
CID 100744322
N-[3-(azepan-1-yl)propyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 92675634
N-[3-(dimethylamino)propyl]-2-(4-methoxy-3-methylphenyl)acetamide
CID 95970771
2-(3-fluoro-4-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)acetamide
CID 119390744
N-[3-(2-chlorophenyl)propyl]-2-(4-methoxy-3-methylphenyl)acetamide
CID 100717544
2-(4-acetyl-2-methoxyphenoxy)-N-(3-piperidin-1-ylpropyl)acetamide
CID 30540651
2-(5-chloro-2-methoxyphenyl)-N-(2-piperidin-1-ylethyl)acetamide
CID 86990582
5-chloro-2-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 94885064
2-(3-hydroxyphenyl)-N-(3-pyrrolidin-1-ylpropyl)acetamide
CID 62992551
2-(2,5-dimethoxyphenyl)-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
CID 78822014
2-(3,4-dimethoxyphenyl)-N-(2-piperidin-1-ylsulfonylethyl)acetamide
CID 110287567

Frequently Asked Questions

What is the IUPAC name of N-[3-(azepan-1-yl)propyl]-2-(4-methoxy-3-methylphenyl)acetamide?
The IUPAC name of N-[3-(azepan-1-yl)propyl]-2-(4-methoxy-3-methylphenyl)acetamide (CID 100689280) is N-[3-(azepan-1-yl)propyl]-2-(4-methoxy-3-methylphenyl)acetamide.
What is the SMILES notation for N-[3-(azepan-1-yl)propyl]-2-(4-methoxy-3-methylphenyl)acetamide?
The canonical SMILES for N-[3-(azepan-1-yl)propyl]-2-(4-methoxy-3-methylphenyl)acetamide is COc1ccc(CC(=O)NCCCN2CCCCCC2)cc1C.
What is the InChIKey of N-[3-(azepan-1-yl)propyl]-2-(4-methoxy-3-methylphenyl)acetamide?
The InChIKey is QZIYLCNBAYOYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-16-14-17(8-9-18(16)23-2)15-19(22)20-10-7-13-21-11-5-3-4-6-12-21/h8-9,14H,3-7,10-13,15H2,1-2H3,(H,20,22).
What are the key properties of N-[3-(azepan-1-yl)propyl]-2-(4-methoxy-3-methylphenyl)acetamide?
N-[3-(azepan-1-yl)propyl]-2-(4-methoxy-3-methylphenyl)acetamide has a molecular weight of 318.46 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(azepan-1-yl)propyl]-2-(4-methoxy-3-methylphenyl)acetamide is sourced from PubChem (CID 100689280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).