3-(3-aminobutanoylamino)-N,4-dimethylbenzamide

C13H19N3O2 — CID 60843540

IUPAC3-(3-aminobutanoylamino)-N,4-dimethylbenzamide
SMILESCNC(=O)c1ccc(C)c(NC(=O)CC(C)N)c1
InChIInChI=1S/C13H19N3O2/c1-8-4-5-10(13(18)15-3)7-11(8)16-12(17)6-9(2)14/h4-5,7,9H,6,14H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyQMCDNEUEMLTPKO-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.03
Rot. Bonds4

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

3-(3-aminobutanoylamino)-N,4-dimethylbenzamide (PubChem CID 60843540) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-(3-aminobutanoylamino)-N,4-dimethylbenzamide.

Molecular Properties

Compound Name3-(3-aminobutanoylamino)-N,4-dimethylbenzamide
PubChem CID60843540
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name3-(3-aminobutanoylamino)-N,4-dimethylbenzamide
SMILESCNC(=O)c1ccc(C)c(NC(=O)CC(C)N)c1
InChIInChI=1S/C13H19N3O2/c1-8-4-5-10(13(18)15-3)7-11(8)16-12(17)6-9(2)14/h4-5,7,9H,6,14H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyQMCDNEUEMLTPKO-UHFFFAOYSA-N
XLogP1.03
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-5-[2-methyl-5-(methylcarbamoyl)anilino]-5-oxopentanoic acid
CID 62963858
3-[(2-aminoacetyl)amino]-N,4-dimethylbenzamide
CID 43711940
3-amino-N-(2,5-dimethylphenyl)butanamide
CID 60835673
3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N,4-dimethylbenzamide
CID 61179907
3-[(2-amino-3-methylpentanoyl)amino]-N,4-dimethylbenzamide
CID 43711952
3-(5-hydroxypentanoylamino)-N,4-dimethylbenzamide
CID 79199583
5-[2-methyl-5-(methylcarbamoyl)anilino]-5-oxopentanoic acid
CID 60941385
N,4-dimethyl-3-(3-piperidin-3-ylbutanoylamino)benzamide
CID 119714059
N,4-dimethyl-3-[[2-(prop-2-enylamino)acetyl]amino]benzamide
CID 79285015
N,4-dimethyl-3-[[2-[(2-phenylacetyl)amino]acetyl]amino]benzamide
CID 43073786
N,4-dimethyl-3-(3-piperidin-3-ylbutanoylamino)benzamide;hydrochloride
CID 119714058
4-methyl-3-(propanoylamino)-N-propan-2-ylbenzamide
CID 131895786

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminobutanoylamino)-N,4-dimethylbenzamide?
The IUPAC name of 3-(3-aminobutanoylamino)-N,4-dimethylbenzamide (CID 60843540) is 3-(3-aminobutanoylamino)-N,4-dimethylbenzamide.
What is the SMILES notation for 3-(3-aminobutanoylamino)-N,4-dimethylbenzamide?
The canonical SMILES for 3-(3-aminobutanoylamino)-N,4-dimethylbenzamide is CNC(=O)c1ccc(C)c(NC(=O)CC(C)N)c1.
What is the InChIKey of 3-(3-aminobutanoylamino)-N,4-dimethylbenzamide?
The InChIKey is QMCDNEUEMLTPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-8-4-5-10(13(18)15-3)7-11(8)16-12(17)6-9(2)14/h4-5,7,9H,6,14H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of 3-(3-aminobutanoylamino)-N,4-dimethylbenzamide?
3-(3-aminobutanoylamino)-N,4-dimethylbenzamide has a molecular weight of 249.31 g/mol, XLogP of 1.03, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminobutanoylamino)-N,4-dimethylbenzamide is sourced from PubChem (CID 60843540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).