3-[acetyl(butan-2-yl)amino]-N-(4-chlorophenyl)propanamide

C15H21ClN2O2 — CID 113116226

IUPAC3-[acetyl(butan-2-yl)amino]-N-(4-chlorophenyl)propanamide
SMILESCCC(C)N(CCC(=O)Nc1ccc(Cl)cc1)C(C)=O
InChIInChI=1S/C15H21ClN2O2/c1-4-11(2)18(12(3)19)10-9-15(20)17-14-7-5-13(16)6-8-14/h5-8,11H,4,9-10H2,1-3H3,(H,17,20)
InChIKeyODBIOCMQQQENEW-UHFFFAOYSA-N
MW296.80 g/mol
LogP3.32
Rot. Bonds6

About 3-[acetyl(butan-2-yl)amino]-N-(4-chlorophenyl)propanamide

3-[acetyl(butan-2-yl)amino]-N-(4-chlorophenyl)propanamide (PubChem CID 113116226) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 3-[acetyl(butan-2-yl)amino]-N-(4-chlorophenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(butan-2-yl)amino]-N-(4-chlorophenyl)propanamide
PubChem CID113116226
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name3-[acetyl(butan-2-yl)amino]-N-(4-chlorophenyl)propanamide
SMILESCCC(C)N(CCC(=O)Nc1ccc(Cl)cc1)C(C)=O
InChIInChI=1S/C15H21ClN2O2/c1-4-11(2)18(12(3)19)10-9-15(20)17-14-7-5-13(16)6-8-14/h5-8,11H,4,9-10H2,1-3H3,(H,17,20)
InChIKeyODBIOCMQQQENEW-UHFFFAOYSA-N
XLogP3.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[acetyl(butan-2-yl)amino]-N-(4-ethylphenyl)propanamide
CID 113116212
3-[acetyl(butan-2-yl)amino]-N-(3-chlorophenyl)propanamide
CID 113116225
N-(4-chlorophenyl)-3-(diethylamino)propanamide
CID 109030730
N-(4-chlorophenyl)-3-(dipropylamino)propanamide
CID 109033132
3-[acetyl(butan-2-yl)amino]-N-(3-methoxyphenyl)propanamide
CID 113116238
N-(4-chlorophenyl)-3-(dimethylamino)butanamide
CID 123590846
5-(4-chloroanilino)-2-ethyl-5-oxopentanoic acid
CID 112517527
3-(N-acetyl-4-chloroanilino)-N-(4-ethylphenyl)propanamide
CID 113127435
3-[acetyl(butan-2-yl)amino]-N-(2,3-dimethylphenyl)propanamide
CID 113116210
2-(butan-2-ylamino)-N-(4-chlorophenyl)acetamide
CID 43179385
3-[benzyl(methyl)amino]-N-(4-chlorophenyl)propanamide
CID 882844
3-[acetyl(propan-2-yl)amino]-N-(4-propan-2-yloxyphenyl)propanamide
CID 113115249

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(butan-2-yl)amino]-N-(4-chlorophenyl)propanamide?
The IUPAC name of 3-[acetyl(butan-2-yl)amino]-N-(4-chlorophenyl)propanamide (CID 113116226) is 3-[acetyl(butan-2-yl)amino]-N-(4-chlorophenyl)propanamide.
What is the SMILES notation for 3-[acetyl(butan-2-yl)amino]-N-(4-chlorophenyl)propanamide?
The canonical SMILES for 3-[acetyl(butan-2-yl)amino]-N-(4-chlorophenyl)propanamide is CCC(C)N(CCC(=O)Nc1ccc(Cl)cc1)C(C)=O.
What is the InChIKey of 3-[acetyl(butan-2-yl)amino]-N-(4-chlorophenyl)propanamide?
The InChIKey is ODBIOCMQQQENEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-4-11(2)18(12(3)19)10-9-15(20)17-14-7-5-13(16)6-8-14/h5-8,11H,4,9-10H2,1-3H3,(H,17,20).
What are the key properties of 3-[acetyl(butan-2-yl)amino]-N-(4-chlorophenyl)propanamide?
3-[acetyl(butan-2-yl)amino]-N-(4-chlorophenyl)propanamide has a molecular weight of 296.80 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(butan-2-yl)amino]-N-(4-chlorophenyl)propanamide is sourced from PubChem (CID 113116226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).