2-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)acetamide

C16H24N2O3 — CID 4883942

IUPAC2-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN2CCCCCC2)cc1OC
InChIInChI=1S/C16H24N2O3/c1-20-14-8-7-13(11-15(14)21-2)17-16(19)12-18-9-5-3-4-6-10-18/h7-8,11H,3-6,9-10,12H2,1-2H3,(H,17,19)
InChIKeyWCYPEUYCPIPHPK-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.52
Rot. Bonds5

About 2-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)acetamide

2-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)acetamide (PubChem CID 4883942) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)acetamide
PubChem CID4883942
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN2CCCCCC2)cc1OC
InChIInChI=1S/C16H24N2O3/c1-20-14-8-7-13(11-15(14)21-2)17-16(19)12-18-9-5-3-4-6-10-18/h7-8,11H,3-6,9-10,12H2,1-2H3,(H,17,19)
InChIKeyWCYPEUYCPIPHPK-UHFFFAOYSA-N
XLogP2.52
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)acetamide (CID 4883942) is 2-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)acetamide is COc1ccc(NC(=O)CN2CCCCCC2)cc1OC.
What is the InChIKey of 2-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is WCYPEUYCPIPHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-20-14-8-7-13(11-15(14)21-2)17-16(19)12-18-9-5-3-4-6-10-18/h7-8,11H,3-6,9-10,12H2,1-2H3,(H,17,19).
What are the key properties of 2-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)acetamide?
2-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 292.38 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 4883942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).