N-[3-(N-benzylanilino)-3-oxopropyl]-2,2-dimethylpropanamide

C21H26N2O2 — CID 24630749

IUPACN-[3-(N-benzylanilino)-3-oxopropyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCC(=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C21H26N2O2/c1-21(2,3)20(25)22-15-14-19(24)23(18-12-8-5-9-13-18)16-17-10-6-4-7-11-17/h4-13H,14-16H2,1-3H3,(H,22,25)
InChIKeyBDUUQVQDLVBMCU-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.77
Rot. Bonds6

About N-[3-(N-benzylanilino)-3-oxopropyl]-2,2-dimethylpropanamide

N-[3-(N-benzylanilino)-3-oxopropyl]-2,2-dimethylpropanamide (PubChem CID 24630749) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[3-(N-benzylanilino)-3-oxopropyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-(N-benzylanilino)-3-oxopropyl]-2,2-dimethylpropanamide
PubChem CID24630749
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-[3-(N-benzylanilino)-3-oxopropyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCC(=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C21H26N2O2/c1-21(2,3)20(25)22-15-14-19(24)23(18-12-8-5-9-13-18)16-17-10-6-4-7-11-17/h4-13H,14-16H2,1-3H3,(H,22,25)
InChIKeyBDUUQVQDLVBMCU-UHFFFAOYSA-N
XLogP3.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[3-(N-benzylanilino)-3-oxopropyl]-2,2-dimethylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(N-benzylanilino)-3-oxopropyl]-2-methylbenzamide
CID 18090249
N-[3-(N-benzylanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 51183578
N-benzyl-3-[tert-butyl(methylsulfonyl)amino]-N-phenylpropanamide
CID 113140923
N-[3-(N-benzylanilino)-3-oxopropyl]thiophene-3-carboxamide
CID 24555383
N-benzyl-3-(cyclopentylamino)-N-phenylpropanamide
CID 109013738
N-benzyl-2,2-dimethyl-N'-(3-methylbutyl)-N-phenylpropanediamide
CID 108966324
2,2-dimethyl-N-[4-(N-methylanilino)-4-oxobutyl]propanamide
CID 10967781
N-benzyl-4-hydroxy-N-phenylbutanamide
CID 79191710
N-benzyl-5-hydroxy-N-phenylpentanamide
CID 79194764
N-benzyl-3-(2,5-dimethoxyanilino)-N-phenylpropanamide
CID 109040385
N'-benzyl-N,N-diethyl-N'-phenylpropanediamide
CID 108951133
2-(2-aminophenyl)-N-benzyl-N-phenylacetamide
CID 28712694

Frequently Asked Questions

What is the IUPAC name of N-[3-(N-benzylanilino)-3-oxopropyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-(N-benzylanilino)-3-oxopropyl]-2,2-dimethylpropanamide (CID 24630749) is N-[3-(N-benzylanilino)-3-oxopropyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-(N-benzylanilino)-3-oxopropyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-(N-benzylanilino)-3-oxopropyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCCC(=O)N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-[3-(N-benzylanilino)-3-oxopropyl]-2,2-dimethylpropanamide?
The InChIKey is BDUUQVQDLVBMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-21(2,3)20(25)22-15-14-19(24)23(18-12-8-5-9-13-18)16-17-10-6-4-7-11-17/h4-13H,14-16H2,1-3H3,(H,22,25).
What are the key properties of N-[3-(N-benzylanilino)-3-oxopropyl]-2,2-dimethylpropanamide?
N-[3-(N-benzylanilino)-3-oxopropyl]-2,2-dimethylpropanamide has a molecular weight of 338.45 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N-benzylanilino)-3-oxopropyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 24630749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).