2-[2-(4-methoxyphenyl)azepan-1-yl]-N-pentan-3-ylacetamide

C20H32N2O2 — CID 18094941

IUPAC2-[2-(4-methoxyphenyl)azepan-1-yl]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CN1CCCCCC1c1ccc(OC)cc1
InChIInChI=1S/C20H32N2O2/c1-4-17(5-2)21-20(23)15-22-14-8-6-7-9-19(22)16-10-12-18(24-3)13-11-16/h10-13,17,19H,4-9,14-15H2,1-3H3,(H,21,23)
InChIKeyLGSDFOZGXWLTMT-UHFFFAOYSA-N
MW332.49 g/mol
LogP3.92
Rot. Bonds7

About 2-[2-(4-methoxyphenyl)azepan-1-yl]-N-pentan-3-ylacetamide

2-[2-(4-methoxyphenyl)azepan-1-yl]-N-pentan-3-ylacetamide (PubChem CID 18094941) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)azepan-1-yl]-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)azepan-1-yl]-N-pentan-3-ylacetamide
PubChem CID18094941
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Name2-[2-(4-methoxyphenyl)azepan-1-yl]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CN1CCCCCC1c1ccc(OC)cc1
InChIInChI=1S/C20H32N2O2/c1-4-17(5-2)21-20(23)15-22-14-8-6-7-9-19(22)16-10-12-18(24-3)13-11-16/h10-13,17,19H,4-9,14-15H2,1-3H3,(H,21,23)
InChIKeyLGSDFOZGXWLTMT-UHFFFAOYSA-N
XLogP3.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 98430569
2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 98482252
2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-propylacetamide
CID 47117656
N-[[4-(dimethylamino)phenyl]methyl]-2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]acetamide
CID 41083446
N-(2-methoxy-5-methylphenyl)-2-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]acetamide
CID 25470768
3-(4-methoxyphenyl)-N-pentan-3-ylazepane-1-carboxamide
CID 121147192
N-[(2-fluorophenyl)carbamoyl]-2-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]acetamide
CID 9292636
4-[2-(4-methoxyphenyl)azepan-1-yl]butanoic acid
CID 119134501
2-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 41077132
N-cyclopropyl-2-[[2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]acetyl]amino]benzamide
CID 9292689
N-(1,3-benzodioxol-5-ylmethyl)-2-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]acetamide
CID 40810312
N-(4-methoxyphenyl)-2-[(2R)-2-phenylpyrrolidin-1-yl]acetamide
CID 40810435

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)azepan-1-yl]-N-pentan-3-ylacetamide?
The IUPAC name of 2-[2-(4-methoxyphenyl)azepan-1-yl]-N-pentan-3-ylacetamide (CID 18094941) is 2-[2-(4-methoxyphenyl)azepan-1-yl]-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)azepan-1-yl]-N-pentan-3-ylacetamide?
The canonical SMILES for 2-[2-(4-methoxyphenyl)azepan-1-yl]-N-pentan-3-ylacetamide is CCC(CC)NC(=O)CN1CCCCCC1c1ccc(OC)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)azepan-1-yl]-N-pentan-3-ylacetamide?
The InChIKey is LGSDFOZGXWLTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-4-17(5-2)21-20(23)15-22-14-8-6-7-9-19(22)16-10-12-18(24-3)13-11-16/h10-13,17,19H,4-9,14-15H2,1-3H3,(H,21,23).
What are the key properties of 2-[2-(4-methoxyphenyl)azepan-1-yl]-N-pentan-3-ylacetamide?
2-[2-(4-methoxyphenyl)azepan-1-yl]-N-pentan-3-ylacetamide has a molecular weight of 332.49 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)azepan-1-yl]-N-pentan-3-ylacetamide is sourced from PubChem (CID 18094941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).