N-benzyl-3-(1-phenylethylamino)-N-propan-2-ylpropanamide

C21H28N2O — CID 109020269

IUPACN-benzyl-3-(1-phenylethylamino)-N-propan-2-ylpropanamide
SMILESCC(NCCC(=O)N(Cc1ccccc1)C(C)C)c1ccccc1
InChIInChI=1S/C21H28N2O/c1-17(2)23(16-19-10-6-4-7-11-19)21(24)14-15-22-18(3)20-12-8-5-9-13-20/h4-13,17-18,22H,14-16H2,1-3H3
InChIKeyNOXKJTXRTZFKLQ-UHFFFAOYSA-N
MW324.47 g/mol
LogP4.16
Rot. Bonds8

About N-benzyl-3-(1-phenylethylamino)-N-propan-2-ylpropanamide

N-benzyl-3-(1-phenylethylamino)-N-propan-2-ylpropanamide (PubChem CID 109020269) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is N-benzyl-3-(1-phenylethylamino)-N-propan-2-ylpropanamide.

Molecular Properties

Compound NameN-benzyl-3-(1-phenylethylamino)-N-propan-2-ylpropanamide
PubChem CID109020269
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC NameN-benzyl-3-(1-phenylethylamino)-N-propan-2-ylpropanamide
SMILESCC(NCCC(=O)N(Cc1ccccc1)C(C)C)c1ccccc1
InChIInChI=1S/C21H28N2O/c1-17(2)23(16-19-10-6-4-7-11-19)21(24)14-15-22-18(3)20-12-8-5-9-13-20/h4-13,17-18,22H,14-16H2,1-3H3
InChIKeyNOXKJTXRTZFKLQ-UHFFFAOYSA-N
XLogP4.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-benzyl-3-(1-phenylethylamino)-N-propan-2-ylpropanamide 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-benzyl-3-(ethylamino)-N-propan-2-ylpropanamide
CID 62833900
N-benzyl-4-methyl-N-propan-2-ylpentanamide
CID 86978961
3-(1-phenylethylamino)propanoic acid
CID 2826777
N-benzyl-3-(2-methylanilino)-N-propan-2-ylpropanamide
CID 109031682
N-ethyl-N-phenyl-3-(1-phenylethylamino)propanamide
CID 109020294
N,N'-dibenzyl-N-methyl-N'-propan-2-ylpropanediamide
CID 108946081
N-butyl-N-methyl-3-(1-phenylethylamino)propanamide
CID 109020272
N,N-dimethyl-4-[[(1S)-1-phenylethyl]amino]butanamide
CID 63868541
2-[acetyl(1-phenylethyl)amino]-N-benzyl-N-propan-2-ylacetamide
CID 113162014
N-benzyl-N-propan-2-ylacetamide
CID 23534449
3-(1-phenylethylamino)-N-(3-phenylpropyl)propanamide
CID 109020264
N-benzyl-N-butan-2-yl-3-(tert-butylamino)propanamide
CID 60937133

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(1-phenylethylamino)-N-propan-2-ylpropanamide?
The IUPAC name of N-benzyl-3-(1-phenylethylamino)-N-propan-2-ylpropanamide (CID 109020269) is N-benzyl-3-(1-phenylethylamino)-N-propan-2-ylpropanamide.
What is the SMILES notation for N-benzyl-3-(1-phenylethylamino)-N-propan-2-ylpropanamide?
The canonical SMILES for N-benzyl-3-(1-phenylethylamino)-N-propan-2-ylpropanamide is CC(NCCC(=O)N(Cc1ccccc1)C(C)C)c1ccccc1.
What is the InChIKey of N-benzyl-3-(1-phenylethylamino)-N-propan-2-ylpropanamide?
The InChIKey is NOXKJTXRTZFKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-17(2)23(16-19-10-6-4-7-11-19)21(24)14-15-22-18(3)20-12-8-5-9-13-20/h4-13,17-18,22H,14-16H2,1-3H3.
What are the key properties of N-benzyl-3-(1-phenylethylamino)-N-propan-2-ylpropanamide?
N-benzyl-3-(1-phenylethylamino)-N-propan-2-ylpropanamide has a molecular weight of 324.47 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(1-phenylethylamino)-N-propan-2-ylpropanamide is sourced from PubChem (CID 109020269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).