N-(4-methylphenyl)-N'-(2-methylpropoxy)oxamide

C13H18N2O3 — CID 113304269

IUPACN-(4-methylphenyl)-N'-(2-methylpropoxy)oxamide
SMILESCc1ccc(NC(=O)C(=O)NOCC(C)C)cc1
InChIInChI=1S/C13H18N2O3/c1-9(2)8-18-15-13(17)12(16)14-11-6-4-10(3)5-7-11/h4-7,9H,8H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyNKTLNQCSVVFBCD-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.64
Rot. Bonds4

About N-(4-methylphenyl)-N'-(2-methylpropoxy)oxamide

N-(4-methylphenyl)-N'-(2-methylpropoxy)oxamide (PubChem CID 113304269) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-(4-methylphenyl)-N'-(2-methylpropoxy)oxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-N'-(2-methylpropoxy)oxamide
PubChem CID113304269
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN-(4-methylphenyl)-N'-(2-methylpropoxy)oxamide
SMILESCc1ccc(NC(=O)C(=O)NOCC(C)C)cc1
InChIInChI=1S/C13H18N2O3/c1-9(2)8-18-15-13(17)12(16)14-11-6-4-10(3)5-7-11/h4-7,9H,8H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyNKTLNQCSVVFBCD-UHFFFAOYSA-N
XLogP1.64
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-methylphenyl)-N'-(2-methylpropoxy)oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-methyl-2-[[2-(4-methylanilino)-2-oxoacetyl]amino]butanoate
CID 43623171
2-methylpropyl N-[4-[4-(2-methylpropoxycarbonylamino)phenyl]phenyl]carbamate
CID 18877627
methanamine;N-(4-methylphenyl)acetamide
CID 142152295
N-(4-methylphenyl)acetamide
CID 7684
N-(2-aminoethyl)-N'-(4-methylphenyl)oxamide
CID 43315800
N'-(4-ethoxyphenyl)-N-(4-methylphenyl)oxamide
CID 44995934
1-(4-cyanophenyl)-3-(2-methylpropoxy)urea
CID 112703498
[(2R)-2,3-dimethylbutyl] N-(4-methylphenyl)carbamate;molecular hydrogen
CID 155739096
1-(2-methylpropoxy)-3-[4-(trifluoromethoxy)phenyl]urea
CID 115752914
2,4-dimethyl-N-(4-methylphenyl)pentanamide
CID 170275837
1-(4-methylphenyl)-3-propan-2-yloxyurea
CID 5118851
N-[4-(2-methylpropoxysulfamoyl)phenyl]acetamide
CID 82716009

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-N'-(2-methylpropoxy)oxamide?
The IUPAC name of N-(4-methylphenyl)-N'-(2-methylpropoxy)oxamide (CID 113304269) is N-(4-methylphenyl)-N'-(2-methylpropoxy)oxamide.
What is the SMILES notation for N-(4-methylphenyl)-N'-(2-methylpropoxy)oxamide?
The canonical SMILES for N-(4-methylphenyl)-N'-(2-methylpropoxy)oxamide is Cc1ccc(NC(=O)C(=O)NOCC(C)C)cc1.
What is the InChIKey of N-(4-methylphenyl)-N'-(2-methylpropoxy)oxamide?
The InChIKey is NKTLNQCSVVFBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9(2)8-18-15-13(17)12(16)14-11-6-4-10(3)5-7-11/h4-7,9H,8H2,1-3H3,(H,14,16)(H,15,17).
What are the key properties of N-(4-methylphenyl)-N'-(2-methylpropoxy)oxamide?
N-(4-methylphenyl)-N'-(2-methylpropoxy)oxamide has a molecular weight of 250.30 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-N'-(2-methylpropoxy)oxamide is sourced from PubChem (CID 113304269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).