3-phenyl-N-phenylmethoxy-2-[(4-phenylphenyl)methylamino]propanamide

C29H28N2O2 — CID 20748993

IUPAC3-phenyl-N-phenylmethoxy-2-[(4-phenylphenyl)methylamino]propanamide
SMILESO=C(NOCc1ccccc1)C(Cc1ccccc1)NCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C29H28N2O2/c32-29(31-33-22-25-12-6-2-7-13-25)28(20-23-10-4-1-5-11-23)30-21-24-16-18-27(19-17-24)26-14-8-3-9-15-26/h1-19,28,30H,20-22H2,(H,31,32)
InChIKeyMOLIDOSXSPRDCU-UHFFFAOYSA-N
MW436.56 g/mol
LogP5.30
Rot. Bonds10

About 3-phenyl-N-phenylmethoxy-2-[(4-phenylphenyl)methylamino]propanamide

3-phenyl-N-phenylmethoxy-2-[(4-phenylphenyl)methylamino]propanamide (PubChem CID 20748993) has the molecular formula C29H28N2O2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 3-phenyl-N-phenylmethoxy-2-[(4-phenylphenyl)methylamino]propanamide.

Molecular Properties

Compound Name3-phenyl-N-phenylmethoxy-2-[(4-phenylphenyl)methylamino]propanamide
PubChem CID20748993
Molecular FormulaC29H28N2O2
Molecular Weight436.56 g/mol
Exact Mass436.22
IUPAC Name3-phenyl-N-phenylmethoxy-2-[(4-phenylphenyl)methylamino]propanamide
SMILESO=C(NOCc1ccccc1)C(Cc1ccccc1)NCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C29H28N2O2/c32-29(31-33-22-25-12-6-2-7-13-25)28(20-23-10-4-1-5-11-23)30-21-24-16-18-27(19-17-24)26-14-8-3-9-15-26/h1-19,28,30H,20-22H2,(H,31,32)
InChIKeyMOLIDOSXSPRDCU-UHFFFAOYSA-N
XLogP5.30
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.56
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-benzyl-N-hydroxy-N'-[1-oxo-1-(2-phenylethylamino)-3-(4-phenylphenyl)propan-2-yl]octanediamide
CID 42637074
4-butyl-N-[2-oxo-2-(trityloxyamino)ethyl]benzamide
CID 156021758
US10059668, Example 23
CID 129098204
N-{(1R)-2-(hydroxyamino)-1-[4'-(hydroxymethyl)[1,1'-biphenyl]-4-yl]-2-oxoethyl}-2,2-dimethylpropanamide
CID 164889255
N-benzyl-2,2-difluoro-3-oxo-5-phenyl-4-[[(2S)-2-(phenylmethoxyamino)pentanoyl]amino]pentanamide
CID 53795803
4-[[[4-(4-fluorophenyl)benzoyl]amino]methyl]-N-phenylmethoxybenzamide
CID 140022216
N-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-(4-piperidin-2-ylphenyl)acetamide
CID 145822497
N-(1-phenylethyl)-2-(phenylmethoxyamino)hexanamide
CID 14103749
3,3-dimethyl-N-(1-phenylethyl)-2-(phenylmethoxyamino)butanamide
CID 14103751
2-(benzylamino)-2-methyl-N-phenylmethoxypropanamide
CID 154721131
2-anilino-2-phenyl-N-phenylmethoxyacetamide
CID 154721973
2-phenyl-N-phenylmethoxy-2-pyrrolidin-1-ylacetamide
CID 132457548

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-phenylmethoxy-2-[(4-phenylphenyl)methylamino]propanamide?
The IUPAC name of 3-phenyl-N-phenylmethoxy-2-[(4-phenylphenyl)methylamino]propanamide (CID 20748993) is 3-phenyl-N-phenylmethoxy-2-[(4-phenylphenyl)methylamino]propanamide.
What is the SMILES notation for 3-phenyl-N-phenylmethoxy-2-[(4-phenylphenyl)methylamino]propanamide?
The canonical SMILES for 3-phenyl-N-phenylmethoxy-2-[(4-phenylphenyl)methylamino]propanamide is O=C(NOCc1ccccc1)C(Cc1ccccc1)NCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3-phenyl-N-phenylmethoxy-2-[(4-phenylphenyl)methylamino]propanamide?
The InChIKey is MOLIDOSXSPRDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2O2/c32-29(31-33-22-25-12-6-2-7-13-25)28(20-23-10-4-1-5-11-23)30-21-24-16-18-27(19-17-24)26-14-8-3-9-15-26/h1-19,28,30H,20-22H2,(H,31,32).
What are the key properties of 3-phenyl-N-phenylmethoxy-2-[(4-phenylphenyl)methylamino]propanamide?
3-phenyl-N-phenylmethoxy-2-[(4-phenylphenyl)methylamino]propanamide has a molecular weight of 436.56 g/mol, XLogP of 5.30, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-phenylmethoxy-2-[(4-phenylphenyl)methylamino]propanamide is sourced from PubChem (CID 20748993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).