N'-[2-(2-chlorophenyl)-2-methoxyethyl]-N-[(4-methylphenyl)methyl]oxamide

C19H21ClN2O3 — CID 90623943

IUPACN'-[2-(2-chlorophenyl)-2-methoxyethyl]-N-[(4-methylphenyl)methyl]oxamide
SMILESCOC(CNC(=O)C(=O)NCc1ccc(C)cc1)c1ccccc1Cl
InChIInChI=1S/C19H21ClN2O3/c1-13-7-9-14(10-8-13)11-21-18(23)19(24)22-12-17(25-2)15-5-3-4-6-16(15)20/h3-10,17H,11-12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyAHYQVSDQTFTIDN-UHFFFAOYSA-N
MW360.84 g/mol
LogP2.77
Rot. Bonds6

About N'-[2-(2-chlorophenyl)-2-methoxyethyl]-N-[(4-methylphenyl)methyl]oxamide

N'-[2-(2-chlorophenyl)-2-methoxyethyl]-N-[(4-methylphenyl)methyl]oxamide (PubChem CID 90623943) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is N'-[2-(2-chlorophenyl)-2-methoxyethyl]-N-[(4-methylphenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-[2-(2-chlorophenyl)-2-methoxyethyl]-N-[(4-methylphenyl)methyl]oxamide
PubChem CID90623943
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC NameN'-[2-(2-chlorophenyl)-2-methoxyethyl]-N-[(4-methylphenyl)methyl]oxamide
SMILESCOC(CNC(=O)C(=O)NCc1ccc(C)cc1)c1ccccc1Cl
InChIInChI=1S/C19H21ClN2O3/c1-13-7-9-14(10-8-13)11-21-18(23)19(24)22-12-17(25-2)15-5-3-4-6-16(15)20/h3-10,17H,11-12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyAHYQVSDQTFTIDN-UHFFFAOYSA-N
XLogP2.77
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 52.77
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-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-3-[(4-fluorophenyl)methyl]urea
CID 99876265
N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-(2,5-dimethylphenyl)oxamide
CID 90623953
N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-(2,3-dimethylphenyl)oxamide
CID 90623949
N-[2-(2-chlorophenyl)-2-methoxyethyl]propanamide
CID 90623661
N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-(4-propan-2-ylphenyl)oxamide
CID 90623967
N-[(4-methylphenyl)methyl]-N'-(2-methylpropyl)oxamide
CID 2274015
N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-cyclohexyloxamide
CID 90623934
N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-cycloheptyloxamide
CID 90623941
N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-2-naphthalen-1-ylacetamide
CID 99876133
N-[2-(2-chlorophenyl)-2-methoxyethyl]-4-methylthiophene-2-carboxamide
CID 90623686
N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-(2-cyanophenyl)oxamide
CID 90623942
N,N'-bis[(4-methylphenyl)methyl]oxamide
CID 3116969

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-chlorophenyl)-2-methoxyethyl]-N-[(4-methylphenyl)methyl]oxamide?
The IUPAC name of N'-[2-(2-chlorophenyl)-2-methoxyethyl]-N-[(4-methylphenyl)methyl]oxamide (CID 90623943) is N'-[2-(2-chlorophenyl)-2-methoxyethyl]-N-[(4-methylphenyl)methyl]oxamide.
What is the SMILES notation for N'-[2-(2-chlorophenyl)-2-methoxyethyl]-N-[(4-methylphenyl)methyl]oxamide?
The canonical SMILES for N'-[2-(2-chlorophenyl)-2-methoxyethyl]-N-[(4-methylphenyl)methyl]oxamide is COC(CNC(=O)C(=O)NCc1ccc(C)cc1)c1ccccc1Cl.
What is the InChIKey of N'-[2-(2-chlorophenyl)-2-methoxyethyl]-N-[(4-methylphenyl)methyl]oxamide?
The InChIKey is AHYQVSDQTFTIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-13-7-9-14(10-8-13)11-21-18(23)19(24)22-12-17(25-2)15-5-3-4-6-16(15)20/h3-10,17H,11-12H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N'-[2-(2-chlorophenyl)-2-methoxyethyl]-N-[(4-methylphenyl)methyl]oxamide?
N'-[2-(2-chlorophenyl)-2-methoxyethyl]-N-[(4-methylphenyl)methyl]oxamide has a molecular weight of 360.84 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-chlorophenyl)-2-methoxyethyl]-N-[(4-methylphenyl)methyl]oxamide is sourced from PubChem (CID 90623943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).