N-methyl-N'-[(2-propan-2-yloxyphenyl)methyl]oxamide

C13H18N2O3 — CID 125144882

IUPACN-methyl-N'-[(2-propan-2-yloxyphenyl)methyl]oxamide
SMILESCNC(=O)C(=O)NCc1ccccc1OC(C)C
InChIInChI=1S/C13H18N2O3/c1-9(2)18-11-7-5-4-6-10(11)8-15-13(17)12(16)14-3/h4-7,9H,8H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyFNKLBBXEOBXXHJ-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.84
Rot. Bonds4

About N-methyl-N'-[(2-propan-2-yloxyphenyl)methyl]oxamide

N-methyl-N'-[(2-propan-2-yloxyphenyl)methyl]oxamide (PubChem CID 125144882) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-methyl-N'-[(2-propan-2-yloxyphenyl)methyl]oxamide.

Molecular Properties

Compound NameN-methyl-N'-[(2-propan-2-yloxyphenyl)methyl]oxamide
PubChem CID125144882
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN-methyl-N'-[(2-propan-2-yloxyphenyl)methyl]oxamide
SMILESCNC(=O)C(=O)NCc1ccccc1OC(C)C
InChIInChI=1S/C13H18N2O3/c1-9(2)18-11-7-5-4-6-10(11)8-15-13(17)12(16)14-3/h4-7,9H,8H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyFNKLBBXEOBXXHJ-UHFFFAOYSA-N
XLogP0.84
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 ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-methyl-N'-[(2-propan-2-yloxyphenyl)methyl]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

N-[(4-fluorophenyl)methyl]-N'-[(2-propan-2-yloxyphenyl)methyl]oxamide
CID 124505025
(2S)-2-amino-N-[(2-propan-2-yloxyphenyl)methyl]propanamide
CID 83294447
N-[(3-methoxyphenyl)methyl]-N'-[(2-propan-2-yloxyphenyl)methyl]oxamide
CID 125144909
2-[(2-propan-2-yloxyphenyl)methylamino]propanoic acid
CID 54959628
2-[(2-propan-2-yloxyphenyl)methylamino]propanamide
CID 43232563
methyl (2S)-2-[(2-propan-2-yloxyphenyl)methylamino]propanoate
CID 43786699
2-[ethyl(methyl)amino]-2-phenyl-N-[(2-propan-2-yloxyphenyl)methyl]acetamide
CID 56521548
1-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(2-propan-2-yloxyphenyl)methyl]urea
CID 55931991
N-(2-methylpropyl)-2-[(2-propan-2-yloxyphenyl)methylamino]acetamide
CID 115621831
2-(2-chlorophenyl)sulfanyl-N-[(2-propan-2-yloxyphenyl)methyl]propanamide
CID 55908762
(2S)-1-[(2-propan-2-yloxyphenyl)methylamino]propan-2-ol
CID 51675528
N,N-dimethyl-2-[(2-propan-2-yloxyphenyl)methylamino]propanamide
CID 43778094

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-[(2-propan-2-yloxyphenyl)methyl]oxamide?
The IUPAC name of N-methyl-N'-[(2-propan-2-yloxyphenyl)methyl]oxamide (CID 125144882) is N-methyl-N'-[(2-propan-2-yloxyphenyl)methyl]oxamide.
What is the SMILES notation for N-methyl-N'-[(2-propan-2-yloxyphenyl)methyl]oxamide?
The canonical SMILES for N-methyl-N'-[(2-propan-2-yloxyphenyl)methyl]oxamide is CNC(=O)C(=O)NCc1ccccc1OC(C)C.
What is the InChIKey of N-methyl-N'-[(2-propan-2-yloxyphenyl)methyl]oxamide?
The InChIKey is FNKLBBXEOBXXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9(2)18-11-7-5-4-6-10(11)8-15-13(17)12(16)14-3/h4-7,9H,8H2,1-3H3,(H,14,16)(H,15,17).
What are the key properties of N-methyl-N'-[(2-propan-2-yloxyphenyl)methyl]oxamide?
N-methyl-N'-[(2-propan-2-yloxyphenyl)methyl]oxamide has a molecular weight of 250.30 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-[(2-propan-2-yloxyphenyl)methyl]oxamide is sourced from PubChem (CID 125144882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).