4-(butanoylamino)-N,3-dimethylbenzamide

C13H18N2O2 — CID 61216786

IUPAC4-(butanoylamino)-N,3-dimethylbenzamide
SMILESCCCC(=O)Nc1ccc(C(=O)NC)cc1C
InChIInChI=1S/C13H18N2O2/c1-4-5-12(16)15-11-7-6-10(8-9(11)2)13(17)14-3/h6-8H,4-5H2,1-3H3,(H,14,17)(H,15,16)
InChIKeySRQBGUGHIKHHOA-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.09
Rot. Bonds4

About 4-(butanoylamino)-N,3-dimethylbenzamide

4-(butanoylamino)-N,3-dimethylbenzamide (PubChem CID 61216786) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-(butanoylamino)-N,3-dimethylbenzamide.

Molecular Properties

Compound Name4-(butanoylamino)-N,3-dimethylbenzamide
PubChem CID61216786
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name4-(butanoylamino)-N,3-dimethylbenzamide
SMILESCCCC(=O)Nc1ccc(C(=O)NC)cc1C
InChIInChI=1S/C13H18N2O2/c1-4-5-12(16)15-11-7-6-10(8-9(11)2)13(17)14-3/h6-8H,4-5H2,1-3H3,(H,14,17)(H,15,16)
InChIKeySRQBGUGHIKHHOA-UHFFFAOYSA-N
XLogP2.09
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-methyl-4-(methylcarbamoyl)anilino]-4-oxobutanoic acid
CID 54868212
4-(4-hydroxypentanoylamino)-N,3-dimethylbenzamide
CID 79204777
4-[3-(cyclopropylamino)propanoylamino]-N,3-dimethylbenzamide
CID 60868168
4-(3-aminopropanoylamino)-N-ethyl-3-methylbenzamide
CID 54862801
N-ethyl-3-methyl-4-[[2-(methylamino)acetyl]amino]benzamide;hydrochloride
CID 119714183
4-[[2-(cyclopropylmethylamino)acetyl]amino]-N,3-dimethylbenzamide
CID 60868336
4-(2,2-dimethylpropanoylamino)-N,3-dimethylbenzamide
CID 61215739
4-(2-butanoylhydrazinyl)-N-(2,4-dimethylphenyl)-4-oxobutanamide
CID 5199281
4-(henicosanoylamino)-3-methylbenzoic acid
CID 12800016
N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 837078
3-(5-hydroxypentanoylamino)-N,4-dimethylbenzamide
CID 79199583
5-[2-methyl-5-(methylcarbamoyl)anilino]-5-oxopentanoic acid
CID 60941385

Frequently Asked Questions

What is the IUPAC name of 4-(butanoylamino)-N,3-dimethylbenzamide?
The IUPAC name of 4-(butanoylamino)-N,3-dimethylbenzamide (CID 61216786) is 4-(butanoylamino)-N,3-dimethylbenzamide.
What is the SMILES notation for 4-(butanoylamino)-N,3-dimethylbenzamide?
The canonical SMILES for 4-(butanoylamino)-N,3-dimethylbenzamide is CCCC(=O)Nc1ccc(C(=O)NC)cc1C.
What is the InChIKey of 4-(butanoylamino)-N,3-dimethylbenzamide?
The InChIKey is SRQBGUGHIKHHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-4-5-12(16)15-11-7-6-10(8-9(11)2)13(17)14-3/h6-8H,4-5H2,1-3H3,(H,14,17)(H,15,16).
What are the key properties of 4-(butanoylamino)-N,3-dimethylbenzamide?
4-(butanoylamino)-N,3-dimethylbenzamide has a molecular weight of 234.30 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butanoylamino)-N,3-dimethylbenzamide is sourced from PubChem (CID 61216786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).