2-[acetyl(1-phenylethyl)amino]-N-benzyl-N-propan-2-ylacetamide

C22H28N2O2 — CID 113162014

IUPAC2-[acetyl(1-phenylethyl)amino]-N-benzyl-N-propan-2-ylacetamide
SMILESCC(=O)N(CC(=O)N(Cc1ccccc1)C(C)C)C(C)c1ccccc1
InChIInChI=1S/C22H28N2O2/c1-17(2)23(15-20-11-7-5-8-12-20)22(26)16-24(19(4)25)18(3)21-13-9-6-10-14-21/h5-14,17-18H,15-16H2,1-4H3
InChIKeyNRMIHDGEUMTBPE-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.03
Rot. Bonds7

About 2-[acetyl(1-phenylethyl)amino]-N-benzyl-N-propan-2-ylacetamide

2-[acetyl(1-phenylethyl)amino]-N-benzyl-N-propan-2-ylacetamide (PubChem CID 113162014) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 2-[acetyl(1-phenylethyl)amino]-N-benzyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[acetyl(1-phenylethyl)amino]-N-benzyl-N-propan-2-ylacetamide
PubChem CID113162014
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name2-[acetyl(1-phenylethyl)amino]-N-benzyl-N-propan-2-ylacetamide
SMILESCC(=O)N(CC(=O)N(Cc1ccccc1)C(C)C)C(C)c1ccccc1
InChIInChI=1S/C22H28N2O2/c1-17(2)23(15-20-11-7-5-8-12-20)22(26)16-24(19(4)25)18(3)21-13-9-6-10-14-21/h5-14,17-18H,15-16H2,1-4H3
InChIKeyNRMIHDGEUMTBPE-UHFFFAOYSA-N
XLogP4.03
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[acetyl(1-phenylethyl)amino]-N-benzyl-N-propan-2-ylacetamide 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

2-[acetyl(butan-2-yl)amino]-N-benzyl-N-propan-2-ylacetamide
CID 113159086
N-benzyl-N-propan-2-ylacetamide
CID 23534449
N-benzyl-2-[benzyl(ethyl)amino]-N-propan-2-ylacetamide
CID 108998910
N-benzyl-2-phenyl-N-(1-phenylethyl)acetamide
CID 86229489
2-(N-acetyl-4-propan-2-ylanilino)-N-benzyl-N-propan-2-ylacetamide
CID 113169817
N-benzyl-4-methyl-N-propan-2-ylpentanamide
CID 86978961
N-benzyl-N-(1-hydroxyethyl)acetamide
CID 54542101
N-benzyl-2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide
CID 126749944
N,N'-dibenzyl-N-methyl-N'-propan-2-ylpropanediamide
CID 108946081
2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-benzyl-N-propan-2-ylacetamide
CID 113162207
2-[acetyl(benzyl)amino]propanoic acid
CID 11053213
(2S)-2-[acetyl(benzyl)amino]propanoic acid
CID 39244624

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(1-phenylethyl)amino]-N-benzyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[acetyl(1-phenylethyl)amino]-N-benzyl-N-propan-2-ylacetamide (CID 113162014) is 2-[acetyl(1-phenylethyl)amino]-N-benzyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[acetyl(1-phenylethyl)amino]-N-benzyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[acetyl(1-phenylethyl)amino]-N-benzyl-N-propan-2-ylacetamide is CC(=O)N(CC(=O)N(Cc1ccccc1)C(C)C)C(C)c1ccccc1.
What is the InChIKey of 2-[acetyl(1-phenylethyl)amino]-N-benzyl-N-propan-2-ylacetamide?
The InChIKey is NRMIHDGEUMTBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-17(2)23(15-20-11-7-5-8-12-20)22(26)16-24(19(4)25)18(3)21-13-9-6-10-14-21/h5-14,17-18H,15-16H2,1-4H3.
What are the key properties of 2-[acetyl(1-phenylethyl)amino]-N-benzyl-N-propan-2-ylacetamide?
2-[acetyl(1-phenylethyl)amino]-N-benzyl-N-propan-2-ylacetamide has a molecular weight of 352.48 g/mol, XLogP of 4.03, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(1-phenylethyl)amino]-N-benzyl-N-propan-2-ylacetamide is sourced from PubChem (CID 113162014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).