N-[4-(4-chloroanilino)-4-oxobutyl]-2,2-dimethylpropanamide

C15H21ClN2O2 — CID 34753669

IUPACN-[4-(4-chloroanilino)-4-oxobutyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCCC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O2/c1-15(2,3)14(20)17-10-4-5-13(19)18-12-8-6-11(16)7-9-12/h6-9H,4-5,10H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyOVGFZDISNMXLRS-UHFFFAOYSA-N
MW296.80 g/mol
LogP3.22
Rot. Bonds5

About N-[4-(4-chloroanilino)-4-oxobutyl]-2,2-dimethylpropanamide

N-[4-(4-chloroanilino)-4-oxobutyl]-2,2-dimethylpropanamide (PubChem CID 34753669) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is N-[4-(4-chloroanilino)-4-oxobutyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-(4-chloroanilino)-4-oxobutyl]-2,2-dimethylpropanamide
PubChem CID34753669
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC NameN-[4-(4-chloroanilino)-4-oxobutyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCCC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O2/c1-15(2,3)14(20)17-10-4-5-13(19)18-12-8-6-11(16)7-9-12/h6-9H,4-5,10H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyOVGFZDISNMXLRS-UHFFFAOYSA-N
XLogP3.22
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-N-[4-oxo-4-[4-(propan-2-ylcarbamoylamino)anilino]butyl]propanamide
CID 38198734
N-(4-chlorophenyl)-4-[[2-(methylamino)acetyl]amino]butanamide;hydrochloride
CID 119738705
N-[2-(4-chloroanilino)ethyl]-2,2-dimethylpropanamide
CID 102485027
3-[4-[4-(2,2-dimethylpropanoylamino)butanoylamino]phenyl]-2-methylpropanoic acid
CID 120541449
N-[4-(4-cyclopentyloxyanilino)-4-oxobutyl]-2,2-dimethylpropanamide
CID 36567839
N-[4-[4-(2-methoxyphenoxy)anilino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 32765837
N-(4-chlorophenyl)-4-[[(2S)-2-methylsulfonylpropanoyl]amino]butanamide
CID 94825681
N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-oxobutyl]-2,2-dimethylpropanamide
CID 51339826
2-(4-chlorophenyl)-2-[4-(2,2-dimethylpropanoylamino)butanoylamino]butanoic acid
CID 120977675
N-[4-(2-aminoanilino)-4-oxobutyl]-2,2-dimethylpropanamide
CID 119422393
2,2-dimethyl-N-[4-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-4-oxobutyl]propanamide
CID 32757711
N-(4-chlorophenyl)tridecanamide
CID 4195215

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chloroanilino)-4-oxobutyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-(4-chloroanilino)-4-oxobutyl]-2,2-dimethylpropanamide (CID 34753669) is N-[4-(4-chloroanilino)-4-oxobutyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-(4-chloroanilino)-4-oxobutyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-(4-chloroanilino)-4-oxobutyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCCCC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-[4-(4-chloroanilino)-4-oxobutyl]-2,2-dimethylpropanamide?
The InChIKey is OVGFZDISNMXLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-15(2,3)14(20)17-10-4-5-13(19)18-12-8-6-11(16)7-9-12/h6-9H,4-5,10H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of N-[4-(4-chloroanilino)-4-oxobutyl]-2,2-dimethylpropanamide?
N-[4-(4-chloroanilino)-4-oxobutyl]-2,2-dimethylpropanamide has a molecular weight of 296.80 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chloroanilino)-4-oxobutyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 34753669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).