N'-(1-methoxypropan-2-yl)-N-(3-methylphenyl)oxamide

C13H18N2O3 — CID 44996313

IUPACN'-(1-methoxypropan-2-yl)-N-(3-methylphenyl)oxamide
SMILESCOCC(C)NC(=O)C(=O)Nc1cccc(C)c1
InChIInChI=1S/C13H18N2O3/c1-9-5-4-6-11(7-9)15-13(17)12(16)14-10(2)8-18-3/h4-7,10H,8H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyNRNFMRYGWOFIPO-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.08
Rot. Bonds4

About N'-(1-methoxypropan-2-yl)-N-(3-methylphenyl)oxamide

N'-(1-methoxypropan-2-yl)-N-(3-methylphenyl)oxamide (PubChem CID 44996313) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N'-(1-methoxypropan-2-yl)-N-(3-methylphenyl)oxamide.

Molecular Properties

Compound NameN'-(1-methoxypropan-2-yl)-N-(3-methylphenyl)oxamide
PubChem CID44996313
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN'-(1-methoxypropan-2-yl)-N-(3-methylphenyl)oxamide
SMILESCOCC(C)NC(=O)C(=O)Nc1cccc(C)c1
InChIInChI=1S/C13H18N2O3/c1-9-5-4-6-11(7-9)15-13(17)12(16)14-10(2)8-18-3/h4-7,10H,8H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyNRNFMRYGWOFIPO-UHFFFAOYSA-N
XLogP1.08
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 ≤ 51.08
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

ethyl (3S)-3-[[2-(3-methylanilino)-2-oxoacetyl]amino]butanoate
CID 97334636
N-(1,3-benzodioxol-5-yl)-N'-[(2R)-1-methoxypropan-2-yl]oxamide
CID 41452981
1-(3-chlorophenyl)-3-(1-methoxypropan-2-yl)urea
CID 24528797
N'-butan-2-yl-N-(3-methoxyphenyl)oxamide
CID 44999404
N-(3-hydroxyphenyl)-N'-(3-methylphenyl)oxamide
CID 10445826
N'-[(2R)-1-methoxypropan-2-yl]-N-(2-methylsulfanylphenyl)oxamide
CID 51470310
4-methoxy-3-methyl-2-(3-methylanilino)butanoic acid
CID 116502022
2-[(3-methylphenyl)carbamoyloxy]ethyl N-(3-methylphenyl)carbamate
CID 176596945
(E)-3-[3-(1-methoxypropan-2-ylcarbamoylamino)phenyl]prop-2-enoic acid
CID 115340549
1-(3-ethynylphenyl)-3-[(2S)-1-methoxypropan-2-yl]urea
CID 94812290
2-chloro-N-(1-methoxypropan-2-yl)-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 18161222
N-(1,3-dimethoxypropan-2-yl)-3-methylaniline
CID 13275408

Frequently Asked Questions

What is the IUPAC name of N'-(1-methoxypropan-2-yl)-N-(3-methylphenyl)oxamide?
The IUPAC name of N'-(1-methoxypropan-2-yl)-N-(3-methylphenyl)oxamide (CID 44996313) is N'-(1-methoxypropan-2-yl)-N-(3-methylphenyl)oxamide.
What is the SMILES notation for N'-(1-methoxypropan-2-yl)-N-(3-methylphenyl)oxamide?
The canonical SMILES for N'-(1-methoxypropan-2-yl)-N-(3-methylphenyl)oxamide is COCC(C)NC(=O)C(=O)Nc1cccc(C)c1.
What is the InChIKey of N'-(1-methoxypropan-2-yl)-N-(3-methylphenyl)oxamide?
The InChIKey is NRNFMRYGWOFIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9-5-4-6-11(7-9)15-13(17)12(16)14-10(2)8-18-3/h4-7,10H,8H2,1-3H3,(H,14,16)(H,15,17).
What are the key properties of N'-(1-methoxypropan-2-yl)-N-(3-methylphenyl)oxamide?
N'-(1-methoxypropan-2-yl)-N-(3-methylphenyl)oxamide has a molecular weight of 250.30 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-methoxypropan-2-yl)-N-(3-methylphenyl)oxamide is sourced from PubChem (CID 44996313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).