N-(2-hydroxy-2-phenylpropyl)-N'-(3-methylphenyl)oxamide

C18H20N2O3 — CID 121112034

IUPACN-(2-hydroxy-2-phenylpropyl)-N'-(3-methylphenyl)oxamide
SMILESCc1cccc(NC(=O)C(=O)NCC(C)(O)c2ccccc2)c1
InChIInChI=1S/C18H20N2O3/c1-13-7-6-10-15(11-13)20-17(22)16(21)19-12-18(2,23)14-8-4-3-5-9-14/h3-11,23H,12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyXRMCPDIMXFVYEA-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.96
Rot. Bonds4

About N-(2-hydroxy-2-phenylpropyl)-N'-(3-methylphenyl)oxamide

N-(2-hydroxy-2-phenylpropyl)-N'-(3-methylphenyl)oxamide (PubChem CID 121112034) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-(2-hydroxy-2-phenylpropyl)-N'-(3-methylphenyl)oxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-phenylpropyl)-N'-(3-methylphenyl)oxamide
PubChem CID121112034
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-(2-hydroxy-2-phenylpropyl)-N'-(3-methylphenyl)oxamide
SMILESCc1cccc(NC(=O)C(=O)NCC(C)(O)c2ccccc2)c1
InChIInChI=1S/C18H20N2O3/c1-13-7-6-10-15(11-13)20-17(22)16(21)19-12-18(2,23)14-8-4-3-5-9-14/h3-11,23H,12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyXRMCPDIMXFVYEA-UHFFFAOYSA-N
XLogP1.96
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxy-2-phenylpropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 121112072
N-[(2R)-2-methoxy-2-phenylbutyl]-N'-(3-methylphenyl)oxamide
CID 97428674
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-N'-(3-methylphenyl)oxamide
CID 111490839
N'-(3-acetamidophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]oxamide
CID 90497636
N'-(3-fluorophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]oxamide
CID 71781848
N'-(3-chloro-4-fluorophenyl)-N-[(2S)-2-hydroxy-2-phenylpropyl]oxamide
CID 95368093
N-[(2R)-2-hydroxy-2-phenylpropyl]-N'-[3-(2-oxopiperidin-1-yl)phenyl]oxamide
CID 95368106
N'-(3,4-difluorophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]oxamide
CID 90497618
N-[2-(2-fluorophenyl)-2-methoxypropyl]-N'-(3-methylphenyl)oxamide
CID 90599322
N-[(2R)-2-hydroxy-2-phenylpropyl]-N'-(2,2,2-trifluoroethyl)oxamide
CID 95368102
3-acetamido-N-(2-hydroxy-2-phenylpropyl)benzamide
CID 110663941
N'-(2-chlorophenyl)-N-(2-hydroxy-2-phenylpropyl)oxamide
CID 111335829

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-phenylpropyl)-N'-(3-methylphenyl)oxamide?
The IUPAC name of N-(2-hydroxy-2-phenylpropyl)-N'-(3-methylphenyl)oxamide (CID 121112034) is N-(2-hydroxy-2-phenylpropyl)-N'-(3-methylphenyl)oxamide.
What is the SMILES notation for N-(2-hydroxy-2-phenylpropyl)-N'-(3-methylphenyl)oxamide?
The canonical SMILES for N-(2-hydroxy-2-phenylpropyl)-N'-(3-methylphenyl)oxamide is Cc1cccc(NC(=O)C(=O)NCC(C)(O)c2ccccc2)c1.
What is the InChIKey of N-(2-hydroxy-2-phenylpropyl)-N'-(3-methylphenyl)oxamide?
The InChIKey is XRMCPDIMXFVYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-13-7-6-10-15(11-13)20-17(22)16(21)19-12-18(2,23)14-8-4-3-5-9-14/h3-11,23H,12H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-(2-hydroxy-2-phenylpropyl)-N'-(3-methylphenyl)oxamide?
N-(2-hydroxy-2-phenylpropyl)-N'-(3-methylphenyl)oxamide has a molecular weight of 312.37 g/mol, XLogP of 1.96, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-phenylpropyl)-N'-(3-methylphenyl)oxamide is sourced from PubChem (CID 121112034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).