N-[(3,4-dimethylphenyl)carbamoyl]-N-methylpropanamide

C13H18N2O2 — CID 144808255

IUPACN-[(3,4-dimethylphenyl)carbamoyl]-N-methylpropanamide
SMILESCCC(=O)N(C)C(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C13H18N2O2/c1-5-12(16)15(4)13(17)14-11-7-6-9(2)10(3)8-11/h6-8H,5H2,1-4H3,(H,14,17)
InChIKeyMNJLCTVIQFCCOA-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.70
Rot. Bonds2

About N-[(3,4-dimethylphenyl)carbamoyl]-N-methylpropanamide

N-[(3,4-dimethylphenyl)carbamoyl]-N-methylpropanamide (PubChem CID 144808255) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-[(3,4-dimethylphenyl)carbamoyl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[(3,4-dimethylphenyl)carbamoyl]-N-methylpropanamide
PubChem CID144808255
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-[(3,4-dimethylphenyl)carbamoyl]-N-methylpropanamide
SMILESCCC(=O)N(C)C(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C13H18N2O2/c1-5-12(16)15(4)13(17)14-11-7-6-9(2)10(3)8-11/h6-8H,5H2,1-4H3,(H,14,17)
InChIKeyMNJLCTVIQFCCOA-UHFFFAOYSA-N
XLogP2.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[carboxymethyl-[(3,4-dimethylphenyl)carbamoyl]amino]acetic acid
CID 63645091
N,N'-bis(3,4-dimethylphenyl)oxamide
CID 3278038
1-tert-butyl-3-(3,4-dimethylphenyl)-1-ethylurea
CID 108894089
2-[(2-amino-2-oxoethyl)-[(3,4-dimethylphenyl)carbamoyl]amino]acetic acid
CID 107437614
N-but-1-en-2-yl-3,4-dimethylaniline
CID 142248146
N-(3,4-dimethylphenyl)-2-[ethylsulfonyl(methyl)amino]acetamide
CID 99818118
methyl 2-(3,4-dimethylanilino)-2-oxoacetate
CID 11557524
1-[4-(dimethylamino)phenyl]-3-(3,4-dimethylphenyl)urea
CID 5096263
N'-butan-2-yl-N-(3,4-dimethylphenyl)oxamide
CID 3102423
ethyl N-[2-(3,4-dimethylanilino)-2-oxoethyl]carbamate
CID 47187195
N-(2,2-diethoxyethyl)-N'-(3,4-dimethylphenyl)oxamide
CID 7292869
3-(3-ethoxy-4-methylphenyl)-1-methoxy-1-methylurea
CID 117059873

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylphenyl)carbamoyl]-N-methylpropanamide?
The IUPAC name of N-[(3,4-dimethylphenyl)carbamoyl]-N-methylpropanamide (CID 144808255) is N-[(3,4-dimethylphenyl)carbamoyl]-N-methylpropanamide.
What is the SMILES notation for N-[(3,4-dimethylphenyl)carbamoyl]-N-methylpropanamide?
The canonical SMILES for N-[(3,4-dimethylphenyl)carbamoyl]-N-methylpropanamide is CCC(=O)N(C)C(=O)Nc1ccc(C)c(C)c1.
What is the InChIKey of N-[(3,4-dimethylphenyl)carbamoyl]-N-methylpropanamide?
The InChIKey is MNJLCTVIQFCCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-5-12(16)15(4)13(17)14-11-7-6-9(2)10(3)8-11/h6-8H,5H2,1-4H3,(H,14,17).
What are the key properties of N-[(3,4-dimethylphenyl)carbamoyl]-N-methylpropanamide?
N-[(3,4-dimethylphenyl)carbamoyl]-N-methylpropanamide has a molecular weight of 234.30 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethylphenyl)carbamoyl]-N-methylpropanamide is sourced from PubChem (CID 144808255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).