N-(2,3-dimethylphenyl)-N'-(3-hydroxy-1-phenylpropyl)oxamide

C19H22N2O3 — CID 111798272

IUPACN-(2,3-dimethylphenyl)-N'-(3-hydroxy-1-phenylpropyl)oxamide
SMILESCc1cccc(NC(=O)C(=O)NC(CCO)c2ccccc2)c1C
InChIInChI=1S/C19H22N2O3/c1-13-7-6-10-16(14(13)2)20-18(23)19(24)21-17(11-12-22)15-8-4-3-5-9-15/h3-10,17,22H,11-12H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyQNEOZFHJGBUEIY-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.48
Rot. Bonds5

About N-(2,3-dimethylphenyl)-N'-(3-hydroxy-1-phenylpropyl)oxamide

N-(2,3-dimethylphenyl)-N'-(3-hydroxy-1-phenylpropyl)oxamide (PubChem CID 111798272) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-N'-(3-hydroxy-1-phenylpropyl)oxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-N'-(3-hydroxy-1-phenylpropyl)oxamide
PubChem CID111798272
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-(2,3-dimethylphenyl)-N'-(3-hydroxy-1-phenylpropyl)oxamide
SMILESCc1cccc(NC(=O)C(=O)NC(CCO)c2ccccc2)c1C
InChIInChI=1S/C19H22N2O3/c1-13-7-6-10-16(14(13)2)20-18(23)19(24)21-17(11-12-22)15-8-4-3-5-9-15/h3-10,17,22H,11-12H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyQNEOZFHJGBUEIY-UHFFFAOYSA-N
XLogP2.48
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.48
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-(3-chloro-2-methylphenyl)-N'-(3-hydroxy-1-phenylpropyl)oxamide
CID 111798305
N'-(3-hydroxy-1-phenylpropyl)-N-(6-methyl-2-pyridinyl)oxamide
CID 86807653
N'-(2,3-dimethylphenyl)-N-(3-hydroxy-3-phenylpropyl)oxamide
CID 71782301
N-(4-chlorophenyl)-N'-[(1R)-3-hydroxy-1-phenylpropyl]oxamide
CID 97014806
2-fluoro-N-(3-hydroxy-1-phenylpropyl)-3-methylbenzamide
CID 75496576
2-amino-N-(2,3-dimethylphenyl)-2-phenylacetamide
CID 24694954
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(4-methylphenyl)urea
CID 111450296
N-(2-ethylphenyl)-N'-(2-hydroxy-1-phenylethyl)oxamide
CID 111798095
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-phenylurea
CID 111450283
N,N'-bis(2,3-dimethylphenyl)-2-phenylpropanediamide
CID 3393245
1-(4-chloro-2-methylphenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
CID 111452600
[(1S)-3-hydroxy-1-phenylpropyl]carbamothioic S-acid
CID 142183585

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-N'-(3-hydroxy-1-phenylpropyl)oxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-N'-(3-hydroxy-1-phenylpropyl)oxamide (CID 111798272) is N-(2,3-dimethylphenyl)-N'-(3-hydroxy-1-phenylpropyl)oxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-N'-(3-hydroxy-1-phenylpropyl)oxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-N'-(3-hydroxy-1-phenylpropyl)oxamide is Cc1cccc(NC(=O)C(=O)NC(CCO)c2ccccc2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-N'-(3-hydroxy-1-phenylpropyl)oxamide?
The InChIKey is QNEOZFHJGBUEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-13-7-6-10-16(14(13)2)20-18(23)19(24)21-17(11-12-22)15-8-4-3-5-9-15/h3-10,17,22H,11-12H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N-(2,3-dimethylphenyl)-N'-(3-hydroxy-1-phenylpropyl)oxamide?
N-(2,3-dimethylphenyl)-N'-(3-hydroxy-1-phenylpropyl)oxamide has a molecular weight of 326.40 g/mol, XLogP of 2.48, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-N'-(3-hydroxy-1-phenylpropyl)oxamide is sourced from PubChem (CID 111798272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).