2-[[2-oxo-2-(N-propan-2-ylanilino)ethyl]-propylamino]-N-phenylpropanamide

C23H31N3O2 — CID 60613531

IUPAC2-[[2-oxo-2-(N-propan-2-ylanilino)ethyl]-propylamino]-N-phenylpropanamide
SMILESCCCN(CC(=O)N(c1ccccc1)C(C)C)C(C)C(=O)Nc1ccccc1
InChIInChI=1S/C23H31N3O2/c1-5-16-25(19(4)23(28)24-20-12-8-6-9-13-20)17-22(27)26(18(2)3)21-14-10-7-11-15-21/h6-15,18-19H,5,16-17H2,1-4H3,(H,24,28)
InChIKeyIRYBVUUVLLKMTP-UHFFFAOYSA-N
MW381.52 g/mol
LogP4.17
Rot. Bonds9

About 2-[[2-oxo-2-(N-propan-2-ylanilino)ethyl]-propylamino]-N-phenylpropanamide

2-[[2-oxo-2-(N-propan-2-ylanilino)ethyl]-propylamino]-N-phenylpropanamide (PubChem CID 60613531) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 2-[[2-oxo-2-(N-propan-2-ylanilino)ethyl]-propylamino]-N-phenylpropanamide.

Molecular Properties

Compound Name2-[[2-oxo-2-(N-propan-2-ylanilino)ethyl]-propylamino]-N-phenylpropanamide
PubChem CID60613531
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name2-[[2-oxo-2-(N-propan-2-ylanilino)ethyl]-propylamino]-N-phenylpropanamide
SMILESCCCN(CC(=O)N(c1ccccc1)C(C)C)C(C)C(=O)Nc1ccccc1
InChIInChI=1S/C23H31N3O2/c1-5-16-25(19(4)23(28)24-20-12-8-6-9-13-20)17-22(27)26(18(2)3)21-14-10-7-11-15-21/h6-15,18-19H,5,16-17H2,1-4H3,(H,24,28)
InChIKeyIRYBVUUVLLKMTP-UHFFFAOYSA-N
XLogP4.17
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[2-oxo-2-(N-propan-2-ylanilino)ethyl]-propylamino]-N-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

3-[(1-anilino-1-oxopropan-2-yl)-propylamino]-2-methylpropanoic acid
CID 82326694
2-[dimethylcarbamoyl(propyl)amino]-N-phenylpropanamide
CID 75519630
N-(3-aminophenyl)-2-(dipropylamino)propanamide
CID 16778715
ethyl 2-[(1-anilino-1-oxopropan-2-yl)-propan-2-ylamino]acetate
CID 62028333
N-(4-acetylphenyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]propanamide
CID 78787959
(2R)-N-phenyl-2-[(1-phenyltetrazol-5-yl)methyl-propylamino]propanamide
CID 52539253
2-[[3-(2,5-dichloroanilino)-3-oxopropyl]-propylamino]-N-phenylpropanamide
CID 56526533
2-[1-hydroxypropan-2-yl(methyl)amino]-N-phenylpropanamide
CID 113426304
N-(2-aminophenyl)-2-(dipropylamino)propanamide
CID 16778886
2-[2-cyanopropyl(ethyl)amino]-N-phenylpropanamide
CID 54988244
2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-phenylpropanamide
CID 107494405
2-[2-hydroxyethyl-[(E)-3-phenylprop-2-enyl]amino]-N-phenylpropanamide
CID 91833950

Frequently Asked Questions

What is the IUPAC name of 2-[[2-oxo-2-(N-propan-2-ylanilino)ethyl]-propylamino]-N-phenylpropanamide?
The IUPAC name of 2-[[2-oxo-2-(N-propan-2-ylanilino)ethyl]-propylamino]-N-phenylpropanamide (CID 60613531) is 2-[[2-oxo-2-(N-propan-2-ylanilino)ethyl]-propylamino]-N-phenylpropanamide.
What is the SMILES notation for 2-[[2-oxo-2-(N-propan-2-ylanilino)ethyl]-propylamino]-N-phenylpropanamide?
The canonical SMILES for 2-[[2-oxo-2-(N-propan-2-ylanilino)ethyl]-propylamino]-N-phenylpropanamide is CCCN(CC(=O)N(c1ccccc1)C(C)C)C(C)C(=O)Nc1ccccc1.
What is the InChIKey of 2-[[2-oxo-2-(N-propan-2-ylanilino)ethyl]-propylamino]-N-phenylpropanamide?
The InChIKey is IRYBVUUVLLKMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-5-16-25(19(4)23(28)24-20-12-8-6-9-13-20)17-22(27)26(18(2)3)21-14-10-7-11-15-21/h6-15,18-19H,5,16-17H2,1-4H3,(H,24,28).
What are the key properties of 2-[[2-oxo-2-(N-propan-2-ylanilino)ethyl]-propylamino]-N-phenylpropanamide?
2-[[2-oxo-2-(N-propan-2-ylanilino)ethyl]-propylamino]-N-phenylpropanamide has a molecular weight of 381.52 g/mol, XLogP of 4.17, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-oxo-2-(N-propan-2-ylanilino)ethyl]-propylamino]-N-phenylpropanamide is sourced from PubChem (CID 60613531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).