2-(azepan-1-yl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide

C19H31N3O — CID 2104267

IUPAC2-(azepan-1-yl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
SMILESCCN(c1ccc(NC(=O)CN2CCCCCC2)cc1)C(C)C
InChIInChI=1S/C19H31N3O/c1-4-22(16(2)3)18-11-9-17(10-12-18)20-19(23)15-21-13-7-5-6-8-14-21/h9-12,16H,4-8,13-15H2,1-3H3,(H,20,23)
InChIKeyBBAIWQWTKDPXEB-UHFFFAOYSA-N
MW317.48 g/mol
LogP3.74
Rot. Bonds6

About 2-(azepan-1-yl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide

2-(azepan-1-yl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide (PubChem CID 2104267) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
PubChem CID2104267
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC Name2-(azepan-1-yl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
SMILESCCN(c1ccc(NC(=O)CN2CCCCCC2)cc1)C(C)C
InChIInChI=1S/C19H31N3O/c1-4-22(16(2)3)18-11-9-17(10-12-18)20-19(23)15-21-13-7-5-6-8-14-21/h9-12,16H,4-8,13-15H2,1-3H3,(H,20,23)
InChIKeyBBAIWQWTKDPXEB-UHFFFAOYSA-N
XLogP3.74
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78866546
N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]propanamide
CID 54814408
N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]-2-methylpropanamide
CID 54814594
3-methyl-N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]butanamide
CID 54815187
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(propan-2-ylamino)acetamide
CID 60641040
2-chloro-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
CID 2404780
N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-2-piperidin-1-ylacetamide
CID 51686284
N-[4-(diethylsulfamoyl)phenyl]-2-pyrrolidin-1-ylacetamide
CID 8901829
N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide
CID 60563699
methyl N-[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl]carbamate
CID 51088000
N-[4-[1-(4-hydroxyphenyl)ethyl]phenyl]-2-piperidin-1-ylacetamide
CID 145430137
3-amino-N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]-2-methylbutanamide;dihydrochloride
CID 120502947

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide?
The IUPAC name of 2-(azepan-1-yl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide (CID 2104267) is 2-(azepan-1-yl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide?
The canonical SMILES for 2-(azepan-1-yl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide is CCN(c1ccc(NC(=O)CN2CCCCCC2)cc1)C(C)C.
What is the InChIKey of 2-(azepan-1-yl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide?
The InChIKey is BBAIWQWTKDPXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O/c1-4-22(16(2)3)18-11-9-17(10-12-18)20-19(23)15-21-13-7-5-6-8-14-21/h9-12,16H,4-8,13-15H2,1-3H3,(H,20,23).
What are the key properties of 2-(azepan-1-yl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide?
2-(azepan-1-yl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide has a molecular weight of 317.48 g/mol, XLogP of 3.74, 6 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-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide is sourced from PubChem (CID 2104267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).