N-(3,4-dimethylphenyl)-N'-[(1R)-1-(4-ethoxyphenyl)ethyl]oxamide

C20H24N2O3 — CID 94536642

IUPACN-(3,4-dimethylphenyl)-N'-[(1R)-1-(4-ethoxyphenyl)ethyl]oxamide
SMILESCCOc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C20H24N2O3/c1-5-25-18-10-7-16(8-11-18)15(4)21-19(23)20(24)22-17-9-6-13(2)14(3)12-17/h6-12,15H,5H2,1-4H3,(H,21,23)(H,22,24)/t15-/m1/s1
InChIKeySOYDKXASMSAKMY-OAHLLOKOSA-N
MW340.42 g/mol
LogP3.52
Rot. Bonds5

About N-(3,4-dimethylphenyl)-N'-[(1R)-1-(4-ethoxyphenyl)ethyl]oxamide

N-(3,4-dimethylphenyl)-N'-[(1R)-1-(4-ethoxyphenyl)ethyl]oxamide (PubChem CID 94536642) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-N'-[(1R)-1-(4-ethoxyphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-N'-[(1R)-1-(4-ethoxyphenyl)ethyl]oxamide
PubChem CID94536642
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-(3,4-dimethylphenyl)-N'-[(1R)-1-(4-ethoxyphenyl)ethyl]oxamide
SMILESCCOc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C20H24N2O3/c1-5-25-18-10-7-16(8-11-18)15(4)21-19(23)20(24)22-17-9-6-13(2)14(3)12-17/h6-12,15H,5H2,1-4H3,(H,21,23)(H,22,24)/t15-/m1/s1
InChIKeySOYDKXASMSAKMY-OAHLLOKOSA-N
XLogP3.52
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(3,4-dimethylphenyl)ethyl]-3-(4-ethoxyphenyl)thiourea
CID 19675005
N-(3,4-diethoxyphenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide
CID 108510959
N'-butan-2-yl-N-(3,4-dimethylphenyl)oxamide
CID 3102423
N'-(4-bromo-3-methylphenyl)-N-(4-ethoxyphenyl)oxamide
CID 108514525
N-(3,4-dimethylphenyl)-3-(4-ethoxyanilino)propanamide
CID 109035452
N,N'-bis(3,4-dimethylphenyl)oxamide
CID 3278038
N-(4-ethoxyphenyl)-2-[[(1S)-1-phenylethyl]amino]-2-sulfanylideneacetamide
CID 7375064
N-(3,4-dimethylphenyl)-N'-[(Z)-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethoxy]phenyl]methylideneamino]oxamide
CID 94863602
N-[4-(2-methylpropoxy)phenyl]-N'-[(1R)-1-phenylethyl]oxamide
CID 40977489
1-(4-ethoxyphenyl)-3-[(1S)-1-pyridin-4-ylethyl]urea
CID 40637158
N'-(4-ethoxyphenyl)-N-(4-methylphenyl)oxamide
CID 44995934
N-(2,2-diethoxyethyl)-N'-(3,4-dimethylphenyl)oxamide
CID 7292869

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-N'-[(1R)-1-(4-ethoxyphenyl)ethyl]oxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-N'-[(1R)-1-(4-ethoxyphenyl)ethyl]oxamide (CID 94536642) is N-(3,4-dimethylphenyl)-N'-[(1R)-1-(4-ethoxyphenyl)ethyl]oxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-N'-[(1R)-1-(4-ethoxyphenyl)ethyl]oxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-N'-[(1R)-1-(4-ethoxyphenyl)ethyl]oxamide is CCOc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(C)c(C)c2)cc1.
What is the InChIKey of N-(3,4-dimethylphenyl)-N'-[(1R)-1-(4-ethoxyphenyl)ethyl]oxamide?
The InChIKey is SOYDKXASMSAKMY-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-5-25-18-10-7-16(8-11-18)15(4)21-19(23)20(24)22-17-9-6-13(2)14(3)12-17/h6-12,15H,5H2,1-4H3,(H,21,23)(H,22,24)/t15-/m1/s1.
What are the key properties of N-(3,4-dimethylphenyl)-N'-[(1R)-1-(4-ethoxyphenyl)ethyl]oxamide?
N-(3,4-dimethylphenyl)-N'-[(1R)-1-(4-ethoxyphenyl)ethyl]oxamide has a molecular weight of 340.42 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-N'-[(1R)-1-(4-ethoxyphenyl)ethyl]oxamide is sourced from PubChem (CID 94536642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).