N-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-2,2-dimethylpropanamide

C16H23ClN2O2 — CID 108542872

IUPACN-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCNC(=O)CCc1ccc(Cl)cc1
InChIInChI=1S/C16H23ClN2O2/c1-16(2,3)15(21)19-11-10-18-14(20)9-6-12-4-7-13(17)8-5-12/h4-5,7-8H,6,9-11H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyJVXKKUXPAMDSRP-UHFFFAOYSA-N
MW310.82 g/mol
LogP2.55
Rot. Bonds6

About N-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-2,2-dimethylpropanamide

N-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-2,2-dimethylpropanamide (PubChem CID 108542872) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is N-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-2,2-dimethylpropanamide
PubChem CID108542872
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC NameN-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCNC(=O)CCc1ccc(Cl)cc1
InChIInChI=1S/C16H23ClN2O2/c1-16(2,3)15(21)19-11-10-18-14(20)9-6-12-4-7-13(17)8-5-12/h4-5,7-8H,6,9-11H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyJVXKKUXPAMDSRP-UHFFFAOYSA-N
XLogP2.55
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 52.55
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

N-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-3,3-dimethylbutanamide
CID 108574334
N-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-2-ethylbutanamide
CID 108542578
N-[2-(4-chloroanilino)ethyl]-2,2-dimethylpropanamide
CID 102485027
4-[2-[3-(2,2-dimethylpropanoylamino)propanoylamino]ethyl]benzoic acid
CID 75415241
N-[2-(4-chlorophenyl)ethyl]butanamide
CID 60628099
N-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-3,4,5-trihydroxybenzamide
CID 108540157
3-(4-tert-butylphenyl)-N-[2-(methylamino)ethyl]propanamide
CID 119500998
3-(4-chloroanilino)-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 109027936
N-[4-(4-chloroanilino)-4-oxobutyl]-2,2-dimethylpropanamide
CID 34753669
N-[2-(4-chlorophenyl)ethyl]-3-(ethylamino)propanamide
CID 62836136
N-[2-(4-chlorophenyl)ethyl]-2,2-dimethyl-N'-(2-phenylethyl)propanediamide
CID 108963810
N-butyl-4-(4-chlorophenyl)butanamide
CID 110297621

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-2,2-dimethylpropanamide (CID 108542872) is N-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCCNC(=O)CCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-2,2-dimethylpropanamide?
The InChIKey is JVXKKUXPAMDSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-16(2,3)15(21)19-11-10-18-14(20)9-6-12-4-7-13(17)8-5-12/h4-5,7-8H,6,9-11H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of N-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-2,2-dimethylpropanamide?
N-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-2,2-dimethylpropanamide has a molecular weight of 310.82 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 108542872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).