N-[2-[acetyl(2-methylpropyl)amino]ethyl]-3-phenylpropanamide

C17H26N2O2 — CID 113052541

IUPACN-[2-[acetyl(2-methylpropyl)amino]ethyl]-3-phenylpropanamide
SMILESCC(=O)N(CCNC(=O)CCc1ccccc1)CC(C)C
InChIInChI=1S/C17H26N2O2/c1-14(2)13-19(15(3)20)12-11-18-17(21)10-9-16-7-5-4-6-8-16/h4-8,14H,9-13H2,1-3H3,(H,18,21)
InChIKeyOIGYOTXRTLZQDJ-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.24
Rot. Bonds8

About N-[2-[acetyl(2-methylpropyl)amino]ethyl]-3-phenylpropanamide

N-[2-[acetyl(2-methylpropyl)amino]ethyl]-3-phenylpropanamide (PubChem CID 113052541) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[2-[acetyl(2-methylpropyl)amino]ethyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-[acetyl(2-methylpropyl)amino]ethyl]-3-phenylpropanamide
PubChem CID113052541
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[2-[acetyl(2-methylpropyl)amino]ethyl]-3-phenylpropanamide
SMILESCC(=O)N(CCNC(=O)CCc1ccccc1)CC(C)C
InChIInChI=1S/C17H26N2O2/c1-14(2)13-19(15(3)20)12-11-18-17(21)10-9-16-7-5-4-6-8-16/h4-8,14H,9-13H2,1-3H3,(H,18,21)
InChIKeyOIGYOTXRTLZQDJ-UHFFFAOYSA-N
XLogP2.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-[acetyl(2-methylpropyl)amino]ethyl]-3-phenylpropanamide 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-[2-[acetyl(propyl)amino]ethyl]-3-phenylpropanamide
CID 113051865
N-[2-[acetyl(2-methylpropyl)amino]ethyl]-3-phenoxypropanamide
CID 113052545
3-[acetyl(3-methylbutyl)amino]-N-(2-phenylethyl)propanamide
CID 113122843
N-[2-[acetyl-[(2-methylphenyl)methyl]amino]ethyl]-3-phenylpropanamide
CID 113054142
N-[2-(N-acetyl-4-propan-2-ylanilino)ethyl]-3-phenylpropanamide
CID 113058709
3-[acetyl(2-methylpropyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 113115963
N-[2-[acetyl(1,3-benzodioxol-5-ylmethyl)amino]ethyl]-3-phenylpropanamide
CID 113055114
3-[acetyl(2-phenylethyl)amino]-N-propylpropanamide
CID 113120727
3-[acetyl(2-methylpropyl)amino]-N-propylpropanamide
CID 113115907
N-[2-(3-phenylpropanoylamino)ethyl]butanamide
CID 108573772
(2S)-2-[carboxy-[3-(3-phenylpropanoylamino)propyl]amino]-4-methylpentanoic acid
CID 70087530
N-(2-methylprop-2-enyl)-3-phenylpropanamide
CID 11469759

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(2-methylpropyl)amino]ethyl]-3-phenylpropanamide?
The IUPAC name of N-[2-[acetyl(2-methylpropyl)amino]ethyl]-3-phenylpropanamide (CID 113052541) is N-[2-[acetyl(2-methylpropyl)amino]ethyl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-[acetyl(2-methylpropyl)amino]ethyl]-3-phenylpropanamide?
The canonical SMILES for N-[2-[acetyl(2-methylpropyl)amino]ethyl]-3-phenylpropanamide is CC(=O)N(CCNC(=O)CCc1ccccc1)CC(C)C.
What is the InChIKey of N-[2-[acetyl(2-methylpropyl)amino]ethyl]-3-phenylpropanamide?
The InChIKey is OIGYOTXRTLZQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-14(2)13-19(15(3)20)12-11-18-17(21)10-9-16-7-5-4-6-8-16/h4-8,14H,9-13H2,1-3H3,(H,18,21).
What are the key properties of N-[2-[acetyl(2-methylpropyl)amino]ethyl]-3-phenylpropanamide?
N-[2-[acetyl(2-methylpropyl)amino]ethyl]-3-phenylpropanamide has a molecular weight of 290.41 g/mol, XLogP of 2.24, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl(2-methylpropyl)amino]ethyl]-3-phenylpropanamide is sourced from PubChem (CID 113052541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).