N-[(2-methoxyphenyl)methyl]-N'-(4-propan-2-ylphenyl)oxamide

C19H22N2O3 — CID 2175728

IUPACN-[(2-methoxyphenyl)methyl]-N'-(4-propan-2-ylphenyl)oxamide
SMILESCOc1ccccc1CNC(=O)C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C19H22N2O3/c1-13(2)14-8-10-16(11-9-14)21-19(23)18(22)20-12-15-6-4-5-7-17(15)24-3/h4-11,13H,12H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyHAKKXCGBCNXMMJ-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.07
Rot. Bonds5

About N-[(2-methoxyphenyl)methyl]-N'-(4-propan-2-ylphenyl)oxamide

N-[(2-methoxyphenyl)methyl]-N'-(4-propan-2-ylphenyl)oxamide (PubChem CID 2175728) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-N'-(4-propan-2-ylphenyl)oxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-N'-(4-propan-2-ylphenyl)oxamide
PubChem CID2175728
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-[(2-methoxyphenyl)methyl]-N'-(4-propan-2-ylphenyl)oxamide
SMILESCOc1ccccc1CNC(=O)C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C19H22N2O3/c1-13(2)14-8-10-16(11-9-14)21-19(23)18(22)20-12-15-6-4-5-7-17(15)24-3/h4-11,13H,12H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyHAKKXCGBCNXMMJ-UHFFFAOYSA-N
XLogP3.07
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.07
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

N-[(2-methoxyphenyl)methyl]-N'-(4-propoxyphenyl)oxamide
CID 125145113
N'-(3,5-dimethylphenyl)-N-[(2-methoxyphenyl)methyl]oxamide
CID 7541451
N-[(2-methoxyphenyl)methyl]-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
CID 108527615
N'-(4-bromo-3-methylphenyl)-N-[(2-methoxyphenyl)methyl]oxamide
CID 108531641
2-[(2-methoxyphenyl)methylamino]-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109257924
N-[(2-methoxyphenyl)methyl]-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109257822
N'-[1-(4-ethylphenyl)ethyl]-N-[(2-methoxyphenyl)methyl]oxamide
CID 108511080
N'-(2,5-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]oxamide
CID 108501079
N'-(4-methoxyphenyl)-N-[(2-methylphenyl)methyl]oxamide
CID 7292696
(2S)-2-chloro-N-[(2-methoxyphenyl)methyl]propanamide
CID 9291152
N'-(3,4-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]oxamide
CID 7585276
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(4-propan-2-ylphenyl)oxamide
CID 2218053

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-N'-(4-propan-2-ylphenyl)oxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-N'-(4-propan-2-ylphenyl)oxamide (CID 2175728) is N-[(2-methoxyphenyl)methyl]-N'-(4-propan-2-ylphenyl)oxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-N'-(4-propan-2-ylphenyl)oxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-N'-(4-propan-2-ylphenyl)oxamide is COc1ccccc1CNC(=O)C(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-N'-(4-propan-2-ylphenyl)oxamide?
The InChIKey is HAKKXCGBCNXMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-13(2)14-8-10-16(11-9-14)21-19(23)18(22)20-12-15-6-4-5-7-17(15)24-3/h4-11,13H,12H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N-[(2-methoxyphenyl)methyl]-N'-(4-propan-2-ylphenyl)oxamide?
N-[(2-methoxyphenyl)methyl]-N'-(4-propan-2-ylphenyl)oxamide has a molecular weight of 326.40 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-N'-(4-propan-2-ylphenyl)oxamide is sourced from PubChem (CID 2175728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).