N-[(3R)-3-hydroxy-3-phenylpropyl]-4-phenyloxane-4-carboxamide

C21H25NO3 — CID 96568311

IUPACN-[(3R)-3-hydroxy-3-phenylpropyl]-4-phenyloxane-4-carboxamide
SMILESO=C(NCC[C@@H](O)c1ccccc1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C21H25NO3/c23-19(17-7-3-1-4-8-17)11-14-22-20(24)21(12-15-25-16-13-21)18-9-5-2-6-10-18/h1-10,19,23H,11-16H2,(H,22,24)/t19-/m1/s1
InChIKeyBVQSETNQEIHOKZ-LJQANCHMSA-N
MW339.44 g/mol
LogP2.97
Rot. Bonds6

About N-[(3R)-3-hydroxy-3-phenylpropyl]-4-phenyloxane-4-carboxamide

N-[(3R)-3-hydroxy-3-phenylpropyl]-4-phenyloxane-4-carboxamide (PubChem CID 96568311) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[(3R)-3-hydroxy-3-phenylpropyl]-4-phenyloxane-4-carboxamide.

Molecular Properties

Compound NameN-[(3R)-3-hydroxy-3-phenylpropyl]-4-phenyloxane-4-carboxamide
PubChem CID96568311
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC NameN-[(3R)-3-hydroxy-3-phenylpropyl]-4-phenyloxane-4-carboxamide
SMILESO=C(NCC[C@@H](O)c1ccccc1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C21H25NO3/c23-19(17-7-3-1-4-8-17)11-14-22-20(24)21(12-15-25-16-13-21)18-9-5-2-6-10-18/h1-10,19,23H,11-16H2,(H,22,24)/t19-/m1/s1
InChIKeyBVQSETNQEIHOKZ-LJQANCHMSA-N
XLogP2.97
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(3R)-3-hydroxy-3-phenylpropyl]-4-phenyloxane-4-carboxamide 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-[(3S)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-4-phenyloxane-4-carboxamide
CID 97414295
N-(3,3-diphenylpropyl)-4-(4-fluorophenyl)oxane-4-carboxamide
CID 27456804
N-benzhydryl-4-phenyloxane-4-carboxamide
CID 27456066
4-phenyl-N-[(4-phenyloxan-4-yl)methyl]oxane-4-carboxamide
CID 1082209
N-[2-(methylamino)propyl]-4-phenyloxane-4-carboxamide;hydrochloride
CID 120832802
N-(3-hydroxy-3-phenylpropyl)-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 71782253
N-[(3R)-3-hydroxy-3-phenylpropyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 97038575
N-(3-hydroxy-4-methoxybutyl)-1-phenylcyclopropane-1-carboxamide
CID 103876902
1-[[(4-phenyloxane-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120544882
1-[(3R)-3-hydroxy-3-phenylpropyl]-3-(oxan-4-yl)urea
CID 100676156
N-[2-cyclopropyl-2-[(4-phenyloxane-4-carbonyl)amino]ethyl]-4-phenyloxane-4-carboxamide
CID 60615517
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-4-phenyloxane-4-carboxamide
CID 121179455

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-hydroxy-3-phenylpropyl]-4-phenyloxane-4-carboxamide?
The IUPAC name of N-[(3R)-3-hydroxy-3-phenylpropyl]-4-phenyloxane-4-carboxamide (CID 96568311) is N-[(3R)-3-hydroxy-3-phenylpropyl]-4-phenyloxane-4-carboxamide.
What is the SMILES notation for N-[(3R)-3-hydroxy-3-phenylpropyl]-4-phenyloxane-4-carboxamide?
The canonical SMILES for N-[(3R)-3-hydroxy-3-phenylpropyl]-4-phenyloxane-4-carboxamide is O=C(NCC[C@@H](O)c1ccccc1)C1(c2ccccc2)CCOCC1.
What is the InChIKey of N-[(3R)-3-hydroxy-3-phenylpropyl]-4-phenyloxane-4-carboxamide?
The InChIKey is BVQSETNQEIHOKZ-LJQANCHMSA-N. The full InChI is InChI=1S/C21H25NO3/c23-19(17-7-3-1-4-8-17)11-14-22-20(24)21(12-15-25-16-13-21)18-9-5-2-6-10-18/h1-10,19,23H,11-16H2,(H,22,24)/t19-/m1/s1.
What are the key properties of N-[(3R)-3-hydroxy-3-phenylpropyl]-4-phenyloxane-4-carboxamide?
N-[(3R)-3-hydroxy-3-phenylpropyl]-4-phenyloxane-4-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-hydroxy-3-phenylpropyl]-4-phenyloxane-4-carboxamide is sourced from PubChem (CID 96568311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).