N-[(1R)-2-hydroxy-2-methyl-1-[4-(2-methylpentoxy)phenyl]propyl]-2-phenylpropanamide

C25H35NO3 — CID 140569565

IUPACN-[(1R)-2-hydroxy-2-methyl-1-[4-(2-methylpentoxy)phenyl]propyl]-2-phenylpropanamide
SMILESCCCC(C)COc1ccc([C@@H](NC(=O)C(C)c2ccccc2)C(C)(C)O)cc1
InChIInChI=1S/C25H35NO3/c1-6-10-18(2)17-29-22-15-13-21(14-16-22)23(25(4,5)28)26-24(27)19(3)20-11-8-7-9-12-20/h7-9,11-16,18-19,23,28H,6,10,17H2,1-5H3,(H,26,27)/t18?,19?,23-/m1/s1
InChIKeyDTNWRNSQLZVGLW-MTNXOHHFSA-N
MW397.56 g/mol
LogP5.23
Rot. Bonds10

About N-[(1R)-2-hydroxy-2-methyl-1-[4-(2-methylpentoxy)phenyl]propyl]-2-phenylpropanamide

N-[(1R)-2-hydroxy-2-methyl-1-[4-(2-methylpentoxy)phenyl]propyl]-2-phenylpropanamide (PubChem CID 140569565) has the molecular formula C25H35NO3 and a molecular weight of 397.56 g/mol. Its IUPAC name is N-[(1R)-2-hydroxy-2-methyl-1-[4-(2-methylpentoxy)phenyl]propyl]-2-phenylpropanamide.

Molecular Properties

Compound NameN-[(1R)-2-hydroxy-2-methyl-1-[4-(2-methylpentoxy)phenyl]propyl]-2-phenylpropanamide
PubChem CID140569565
Molecular FormulaC25H35NO3
Molecular Weight397.56 g/mol
Exact Mass397.26
IUPAC NameN-[(1R)-2-hydroxy-2-methyl-1-[4-(2-methylpentoxy)phenyl]propyl]-2-phenylpropanamide
SMILESCCCC(C)COc1ccc([C@@H](NC(=O)C(C)c2ccccc2)C(C)(C)O)cc1
InChIInChI=1S/C25H35NO3/c1-6-10-18(2)17-29-22-15-13-21(14-16-22)23(25(4,5)28)26-24(27)19(3)20-11-8-7-9-12-20/h7-9,11-16,18-19,23,28H,6,10,17H2,1-5H3,(H,26,27)/t18?,19?,23-/m1/s1
InChIKeyDTNWRNSQLZVGLW-MTNXOHHFSA-N
XLogP5.23
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.56
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1R)-2-hydroxy-2-methyl-1-[4-(2-methylpentoxy)phenyl]propyl]-2-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

(2R)-2-hydroxy-N-[(1R)-2-hydroxy-2-methyl-1-[4-[(2R)-2-methylpentoxy]phenyl]propyl]-2-phenylpropanamide
CID 170640585
tert-butyl N-methyl-N-[2-[[(2R)-2-[4-(2-methylpentoxy)phenyl]-2-[[(2S)-2-phenylpropanoyl]amino]acetyl]amino]ethyl]carbamate
CID 162652578
N-[[4-(2-methylpentoxy)phenyl]methyl]-2-phenylpropanamide
CID 129058692
N-[2-(2-aminopropylamino)-1-[4-(2-methylpentoxy)phenyl]ethyl]-2-phenylpropanamide
CID 75631226
(2S)-N-[(R)-(5-methyl-1,3,4-oxadiazol-2-yl)-[4-(2-methylpentoxy)phenyl]methyl]-2-phenylpropanamide
CID 162664171
(2S)-2-amino-3-methyl-N-[(2R)-2-[4-(2-methylpentoxy)phenyl]-2-[[(2S)-2-phenylpropanoyl]amino]ethyl]butanamide
CID 51355030
(2S)-2-amino-3-methyl-N-[(2S)-2-[4-(2-methylpentoxy)phenyl]-2-[[(2S)-2-phenylpropanoyl]amino]ethyl]butanamide
CID 67437012
(2S)-N-[(1R)-1-[4-(2-methylpentoxy)phenyl]-2-[methyl(pyridin-4-yl)amino]ethyl]-2-phenylpropanamide
CID 67436806
(2S)-N-[(1R)-2-[1H-indol-3-yl(methyl)amino]-1-[4-(2-methylpentoxy)phenyl]ethyl]-2-phenylpropanamide
CID 67438825
(2S)-N-[(1R)-2-amino-1-[4-[(2S)-2-methylbutoxy]phenyl]ethyl]-2-phenylpropanamide
CID 51354470
(2S)-N-[(2R)-2-[4-(2-methylpentoxy)phenyl]-2-(2-phenylpropanoylamino)ethyl]pyrrolidine-2-carboxamide
CID 67438225
2-[4-(2-methylundecoxy)phenyl]propanoic acid
CID 58795117

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-hydroxy-2-methyl-1-[4-(2-methylpentoxy)phenyl]propyl]-2-phenylpropanamide?
The IUPAC name of N-[(1R)-2-hydroxy-2-methyl-1-[4-(2-methylpentoxy)phenyl]propyl]-2-phenylpropanamide (CID 140569565) is N-[(1R)-2-hydroxy-2-methyl-1-[4-(2-methylpentoxy)phenyl]propyl]-2-phenylpropanamide.
What is the SMILES notation for N-[(1R)-2-hydroxy-2-methyl-1-[4-(2-methylpentoxy)phenyl]propyl]-2-phenylpropanamide?
The canonical SMILES for N-[(1R)-2-hydroxy-2-methyl-1-[4-(2-methylpentoxy)phenyl]propyl]-2-phenylpropanamide is CCCC(C)COc1ccc([C@@H](NC(=O)C(C)c2ccccc2)C(C)(C)O)cc1.
What is the InChIKey of N-[(1R)-2-hydroxy-2-methyl-1-[4-(2-methylpentoxy)phenyl]propyl]-2-phenylpropanamide?
The InChIKey is DTNWRNSQLZVGLW-MTNXOHHFSA-N. The full InChI is InChI=1S/C25H35NO3/c1-6-10-18(2)17-29-22-15-13-21(14-16-22)23(25(4,5)28)26-24(27)19(3)20-11-8-7-9-12-20/h7-9,11-16,18-19,23,28H,6,10,17H2,1-5H3,(H,26,27)/t18?,19?,23-/m1/s1.
What are the key properties of N-[(1R)-2-hydroxy-2-methyl-1-[4-(2-methylpentoxy)phenyl]propyl]-2-phenylpropanamide?
N-[(1R)-2-hydroxy-2-methyl-1-[4-(2-methylpentoxy)phenyl]propyl]-2-phenylpropanamide has a molecular weight of 397.56 g/mol, XLogP of 5.23, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-hydroxy-2-methyl-1-[4-(2-methylpentoxy)phenyl]propyl]-2-phenylpropanamide is sourced from PubChem (CID 140569565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).