N-benzhydryl-4-phenyloxane-4-carboxamide

C25H25NO2 — CID 27456066

IUPACN-benzhydryl-4-phenyloxane-4-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C25H25NO2/c27-24(25(16-18-28-19-17-25)22-14-8-3-9-15-22)26-23(20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-15,23H,16-19H2,(H,26,27)
InChIKeyFXRUQRYCVUPPJF-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.64
Rot. Bonds5

About N-benzhydryl-4-phenyloxane-4-carboxamide

N-benzhydryl-4-phenyloxane-4-carboxamide (PubChem CID 27456066) has the molecular formula C25H25NO2 and a molecular weight of 371.48 g/mol. Its IUPAC name is N-benzhydryl-4-phenyloxane-4-carboxamide.

Molecular Properties

Compound NameN-benzhydryl-4-phenyloxane-4-carboxamide
PubChem CID27456066
Molecular FormulaC25H25NO2
Molecular Weight371.48 g/mol
Exact Mass371.19
IUPAC NameN-benzhydryl-4-phenyloxane-4-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C25H25NO2/c27-24(25(16-18-28-19-17-25)22-14-8-3-9-15-22)26-23(20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-15,23H,16-19H2,(H,26,27)
InChIKeyFXRUQRYCVUPPJF-UHFFFAOYSA-N
XLogP4.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-benzhydryl-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-benzhydryl-4-thiophen-2-yloxane-4-carboxamide
CID 7243574
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-4-phenyloxane-4-carboxamide
CID 100771023
N-[(3R)-3-hydroxy-3-phenylpropyl]-4-phenyloxane-4-carboxamide
CID 96568311
N-[1-(2-methoxyphenyl)ethyl]-4-phenyloxane-4-carboxamide
CID 133202792
N-[2-cyclopropyl-2-[(4-phenyloxane-4-carbonyl)amino]ethyl]-4-phenyloxane-4-carboxamide
CID 60615517
4-(3-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]oxane-4-carboxamide
CID 110001666
4-phenyl-N-[(4-phenyloxan-4-yl)methyl]oxane-4-carboxamide
CID 1082209
N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-4-phenyloxane-4-carboxamide
CID 100723506
N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-4-phenyloxane-4-carboxamide
CID 100636290
N-(2-amino-1-cyclohexylethyl)-4-phenyloxane-4-carboxamide;hydrochloride
CID 119591634
N-[4-(furan-2-yl)-4-oxobutan-2-yl]-4-phenyloxane-4-carboxamide
CID 122144052
N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]-4-phenyloxane-4-carboxamide
CID 129417065

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-4-phenyloxane-4-carboxamide?
The IUPAC name of N-benzhydryl-4-phenyloxane-4-carboxamide (CID 27456066) is N-benzhydryl-4-phenyloxane-4-carboxamide.
What is the SMILES notation for N-benzhydryl-4-phenyloxane-4-carboxamide?
The canonical SMILES for N-benzhydryl-4-phenyloxane-4-carboxamide is O=C(NC(c1ccccc1)c1ccccc1)C1(c2ccccc2)CCOCC1.
What is the InChIKey of N-benzhydryl-4-phenyloxane-4-carboxamide?
The InChIKey is FXRUQRYCVUPPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO2/c27-24(25(16-18-28-19-17-25)22-14-8-3-9-15-22)26-23(20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-15,23H,16-19H2,(H,26,27).
What are the key properties of N-benzhydryl-4-phenyloxane-4-carboxamide?
N-benzhydryl-4-phenyloxane-4-carboxamide has a molecular weight of 371.48 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-4-phenyloxane-4-carboxamide is sourced from PubChem (CID 27456066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).