2-[acetyl(butyl)amino]-N-[2-(4-chlorophenyl)ethyl]acetamide

C16H23ClN2O2 — CID 113158667

IUPAC2-[acetyl(butyl)amino]-N-[2-(4-chlorophenyl)ethyl]acetamide
SMILESCCCCN(CC(=O)NCCc1ccc(Cl)cc1)C(C)=O
InChIInChI=1S/C16H23ClN2O2/c1-3-4-11-19(13(2)20)12-16(21)18-10-9-14-5-7-15(17)8-6-14/h5-8H,3-4,9-12H2,1-2H3,(H,18,21)
InChIKeyMUISPQSEIXIGKV-UHFFFAOYSA-N
MW310.82 g/mol
LogP2.65
Rot. Bonds8

About 2-[acetyl(butyl)amino]-N-[2-(4-chlorophenyl)ethyl]acetamide

2-[acetyl(butyl)amino]-N-[2-(4-chlorophenyl)ethyl]acetamide (PubChem CID 113158667) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is 2-[acetyl(butyl)amino]-N-[2-(4-chlorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[acetyl(butyl)amino]-N-[2-(4-chlorophenyl)ethyl]acetamide
PubChem CID113158667
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC Name2-[acetyl(butyl)amino]-N-[2-(4-chlorophenyl)ethyl]acetamide
SMILESCCCCN(CC(=O)NCCc1ccc(Cl)cc1)C(C)=O
InChIInChI=1S/C16H23ClN2O2/c1-3-4-11-19(13(2)20)12-16(21)18-10-9-14-5-7-15(17)8-6-14/h5-8H,3-4,9-12H2,1-2H3,(H,18,21)
InChIKeyMUISPQSEIXIGKV-UHFFFAOYSA-N
XLogP2.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[acetyl(butyl)amino]-N-(4-chlorophenyl)acetamide
CID 113158729
3-[acetyl-[2-(4-chlorophenyl)ethyl]amino]-N-butylpropanamide
CID 113121920
3-[acetyl-[(4-chlorophenyl)methyl]amino]-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 113119608
N-[2-(4-chlorophenyl)ethyl]butanamide
CID 60628099
N-butyl-4-(4-chlorophenyl)butanamide
CID 110297621
2-[acetyl(butyl)amino]-N-[4-[(4-chlorophenyl)methoxy]phenyl]acetamide
CID 113158789
4-[2-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]ethyl]benzoic acid
CID 120512997
2-[acetyl(3-phenylpropyl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 113165811
N-[2-(4-chlorophenyl)ethyl]-N'-[2-(diethylamino)ethyl]pentanediamide
CID 3939091
2-[acetyl(3-methoxypropyl)amino]-N-[2-(2,4-dichlorophenyl)ethyl]acetamide
CID 113160075
2-[acetyl(3-methoxypropyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 113160044
2-[2-(4-chlorophenyl)ethylamino]-N-pentylacetamide
CID 109002824

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(butyl)amino]-N-[2-(4-chlorophenyl)ethyl]acetamide?
The IUPAC name of 2-[acetyl(butyl)amino]-N-[2-(4-chlorophenyl)ethyl]acetamide (CID 113158667) is 2-[acetyl(butyl)amino]-N-[2-(4-chlorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[acetyl(butyl)amino]-N-[2-(4-chlorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[acetyl(butyl)amino]-N-[2-(4-chlorophenyl)ethyl]acetamide is CCCCN(CC(=O)NCCc1ccc(Cl)cc1)C(C)=O.
What is the InChIKey of 2-[acetyl(butyl)amino]-N-[2-(4-chlorophenyl)ethyl]acetamide?
The InChIKey is MUISPQSEIXIGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-3-4-11-19(13(2)20)12-16(21)18-10-9-14-5-7-15(17)8-6-14/h5-8H,3-4,9-12H2,1-2H3,(H,18,21).
What are the key properties of 2-[acetyl(butyl)amino]-N-[2-(4-chlorophenyl)ethyl]acetamide?
2-[acetyl(butyl)amino]-N-[2-(4-chlorophenyl)ethyl]acetamide has a molecular weight of 310.82 g/mol, XLogP of 2.65, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(butyl)amino]-N-[2-(4-chlorophenyl)ethyl]acetamide is sourced from PubChem (CID 113158667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).