N-benzhydryl-2-(4-phenylphenoxy)propanamide

C28H25NO2 — CID 19191531

IUPACN-benzhydryl-2-(4-phenylphenoxy)propanamide
SMILESCC(Oc1ccc(-c2ccccc2)cc1)C(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H25NO2/c1-21(31-26-19-17-23(18-20-26)22-11-5-2-6-12-22)28(30)29-27(24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-21,27H,1H3,(H,29,30)
InChIKeyMINPOWCFHBJTAD-UHFFFAOYSA-N
MW407.51 g/mol
LogP6.03
Rot. Bonds7

About N-benzhydryl-2-(4-phenylphenoxy)propanamide

N-benzhydryl-2-(4-phenylphenoxy)propanamide (PubChem CID 19191531) has the molecular formula C28H25NO2 and a molecular weight of 407.51 g/mol. Its IUPAC name is N-benzhydryl-2-(4-phenylphenoxy)propanamide.

Molecular Properties

Compound NameN-benzhydryl-2-(4-phenylphenoxy)propanamide
PubChem CID19191531
Molecular FormulaC28H25NO2
Molecular Weight407.51 g/mol
Exact Mass407.19
IUPAC NameN-benzhydryl-2-(4-phenylphenoxy)propanamide
SMILESCC(Oc1ccc(-c2ccccc2)cc1)C(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H25NO2/c1-21(31-26-19-17-23(18-20-26)22-11-5-2-6-12-22)28(30)29-27(24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-21,27H,1H3,(H,29,30)
InChIKeyMINPOWCFHBJTAD-UHFFFAOYSA-N
XLogP6.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.51
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(4-methylphenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide
CID 28572884
(2R)-N-benzhydryl-2-(4-bromophenoxy)propanamide
CID 7930955
2-(4-chlorophenoxy)-N-[(4-methylphenyl)-phenylmethyl]propanamide
CID 43877208
(2S)-2-(4-chlorophenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide
CID 28580247
(2S)-N-benzhydryl-2-(4-propanoylphenoxy)propanamide
CID 8604783
(2S)-2-(4-tert-butylphenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide
CID 28572482
N-benzhydryl-2-(4-chloro-3-methylphenoxy)propanamide
CID 132656978
N-benzhydryl-2-(3-methylphenoxy)propanamide
CID 15978225
N-phenyl-2-(4-phenylphenoxy)propanamide
CID 2969640
(2S)-2-phenoxy-N-[(1S)-1-phenylethyl]propanamide
CID 835918
(2R)-2-(3-methoxyphenoxy)-N-[(S)-(4-methylphenyl)-phenylmethyl]propanamide
CID 28569116
methyl (2R)-2-(4-phenylphenoxy)propanoate
CID 7085245

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-(4-phenylphenoxy)propanamide?
The IUPAC name of N-benzhydryl-2-(4-phenylphenoxy)propanamide (CID 19191531) is N-benzhydryl-2-(4-phenylphenoxy)propanamide.
What is the SMILES notation for N-benzhydryl-2-(4-phenylphenoxy)propanamide?
The canonical SMILES for N-benzhydryl-2-(4-phenylphenoxy)propanamide is CC(Oc1ccc(-c2ccccc2)cc1)C(=O)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-2-(4-phenylphenoxy)propanamide?
The InChIKey is MINPOWCFHBJTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25NO2/c1-21(31-26-19-17-23(18-20-26)22-11-5-2-6-12-22)28(30)29-27(24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-21,27H,1H3,(H,29,30).
What are the key properties of N-benzhydryl-2-(4-phenylphenoxy)propanamide?
N-benzhydryl-2-(4-phenylphenoxy)propanamide has a molecular weight of 407.51 g/mol, XLogP of 6.03, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-(4-phenylphenoxy)propanamide is sourced from PubChem (CID 19191531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).