2-(azepan-1-yl)-N-(3-propan-2-yloxyphenyl)acetamide

C17H26N2O2 — CID 54814466

IUPAC2-(azepan-1-yl)-N-(3-propan-2-yloxyphenyl)acetamide
SMILESCC(C)Oc1cccc(NC(=O)CN2CCCCCC2)c1
InChIInChI=1S/C17H26N2O2/c1-14(2)21-16-9-7-8-15(12-16)18-17(20)13-19-10-5-3-4-6-11-19/h7-9,12,14H,3-6,10-11,13H2,1-2H3,(H,18,20)
InChIKeySRIDSGQDEVPGLG-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.29
Rot. Bonds5

About 2-(azepan-1-yl)-N-(3-propan-2-yloxyphenyl)acetamide

2-(azepan-1-yl)-N-(3-propan-2-yloxyphenyl)acetamide (PubChem CID 54814466) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-(3-propan-2-yloxyphenyl)acetamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-(3-propan-2-yloxyphenyl)acetamide
PubChem CID54814466
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-(azepan-1-yl)-N-(3-propan-2-yloxyphenyl)acetamide
SMILESCC(C)Oc1cccc(NC(=O)CN2CCCCCC2)c1
InChIInChI=1S/C17H26N2O2/c1-14(2)21-16-9-7-8-15(12-16)18-17(20)13-19-10-5-3-4-6-11-19/h7-9,12,14H,3-6,10-11,13H2,1-2H3,(H,18,20)
InChIKeySRIDSGQDEVPGLG-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azocan-1-yl)-N-(3-methoxyphenyl)acetamide
CID 8583685
2-(azepan-1-yl)-N-[3-(2-methoxyethoxy)phenyl]acetamide
CID 54814501
2-piperidin-1-ylethyl N-(3-propan-2-yloxyphenyl)carbamate
CID 23275932
2-(azocan-1-yl)-N-(3-methylphenyl)acetamide
CID 2655272
N-[3-[[2-(azepan-1-yl)acetyl]amino]phenyl]propanamide
CID 54814595
3-amino-N-[3-[[2-(azepan-1-yl)acetyl]amino]phenyl]butanamide
CID 119870425
N-[3-(2-phenylethoxy)phenyl]-2-piperidin-1-ylacetamide
CID 54813456
2-(azepan-1-yl)-N-(3-bromophenyl)acetamide
CID 2958639
2-amino-N-(3-propan-2-yloxyphenyl)acetamide
CID 39242033
3-[[2-(azepan-1-yl)acetyl]amino]benzamide
CID 54814769
(2S)-2-amino-N-[3-[[2-(azepan-1-yl)acetyl]amino]phenyl]-4-methylpentanamide
CID 119870437
2-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-N-(3-methoxyphenyl)acetamide
CID 55864033

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-(3-propan-2-yloxyphenyl)acetamide?
The IUPAC name of 2-(azepan-1-yl)-N-(3-propan-2-yloxyphenyl)acetamide (CID 54814466) is 2-(azepan-1-yl)-N-(3-propan-2-yloxyphenyl)acetamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-(3-propan-2-yloxyphenyl)acetamide?
The canonical SMILES for 2-(azepan-1-yl)-N-(3-propan-2-yloxyphenyl)acetamide is CC(C)Oc1cccc(NC(=O)CN2CCCCCC2)c1.
What is the InChIKey of 2-(azepan-1-yl)-N-(3-propan-2-yloxyphenyl)acetamide?
The InChIKey is SRIDSGQDEVPGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-14(2)21-16-9-7-8-15(12-16)18-17(20)13-19-10-5-3-4-6-11-19/h7-9,12,14H,3-6,10-11,13H2,1-2H3,(H,18,20).
What are the key properties of 2-(azepan-1-yl)-N-(3-propan-2-yloxyphenyl)acetamide?
2-(azepan-1-yl)-N-(3-propan-2-yloxyphenyl)acetamide has a molecular weight of 290.41 g/mol, XLogP of 3.29, 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-(3-propan-2-yloxyphenyl)acetamide is sourced from PubChem (CID 54814466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).