N,N,4-trimethyl-3-(propanoylamino)benzamide

C13H18N2O2 — CID 60650905

IUPACN,N,4-trimethyl-3-(propanoylamino)benzamide
SMILESCCC(=O)Nc1cc(C(=O)N(C)C)ccc1C
InChIInChI=1S/C13H18N2O2/c1-5-12(16)14-11-8-10(7-6-9(11)2)13(17)15(3)4/h6-8H,5H2,1-4H3,(H,14,16)
InChIKeyJOOGWQARQBCPQL-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.05
Rot. Bonds3

About N,N,4-trimethyl-3-(propanoylamino)benzamide

N,N,4-trimethyl-3-(propanoylamino)benzamide (PubChem CID 60650905) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N,N,4-trimethyl-3-(propanoylamino)benzamide.

Molecular Properties

Compound NameN,N,4-trimethyl-3-(propanoylamino)benzamide
PubChem CID60650905
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN,N,4-trimethyl-3-(propanoylamino)benzamide
SMILESCCC(=O)Nc1cc(C(=O)N(C)C)ccc1C
InChIInChI=1S/C13H18N2O2/c1-5-12(16)14-11-8-10(7-6-9(11)2)13(17)15(3)4/h6-8H,5H2,1-4H3,(H,14,16)
InChIKeyJOOGWQARQBCPQL-UHFFFAOYSA-N
XLogP2.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N,4-trimethyl-3-[[2-(methylamino)acetyl]amino]benzamide;hydrochloride
CID 119719084
3-(3-chloropropanoylamino)-N,N,4-trimethylbenzamide
CID 43698528
4-methyl-3-(propanoylamino)benzoic acid
CID 888092
4-methyl-3-(propanoylamino)benzoate
CID 4745923
N,N,4-trimethyl-3-(pentan-2-ylcarbamoylamino)benzamide
CID 47041438
3-[[(2S)-2-aminobutanoyl]amino]-N,N,4-trimethylbenzamide
CID 79024817
4-methyl-3-(propanoylamino)-N-propan-2-ylbenzamide
CID 131895786
4-[3-(5-ethyl-2-methylanilino)-3-oxopropyl]-N,N-dimethylbenzamide
CID 110618310
3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-N,N,4-trimethylbenzamide
CID 61179468
3-[3-(2-aminophenyl)propanoylamino]-N,N,4-trimethylbenzamide;hydrochloride
CID 120608927
N,N,4-trimethyl-3-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride
CID 119719098
N,N,4-trimethyl-3-(2-methylpentan-3-ylamino)benzamide
CID 43783525

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-3-(propanoylamino)benzamide?
The IUPAC name of N,N,4-trimethyl-3-(propanoylamino)benzamide (CID 60650905) is N,N,4-trimethyl-3-(propanoylamino)benzamide.
What is the SMILES notation for N,N,4-trimethyl-3-(propanoylamino)benzamide?
The canonical SMILES for N,N,4-trimethyl-3-(propanoylamino)benzamide is CCC(=O)Nc1cc(C(=O)N(C)C)ccc1C.
What is the InChIKey of N,N,4-trimethyl-3-(propanoylamino)benzamide?
The InChIKey is JOOGWQARQBCPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-5-12(16)14-11-8-10(7-6-9(11)2)13(17)15(3)4/h6-8H,5H2,1-4H3,(H,14,16).
What are the key properties of N,N,4-trimethyl-3-(propanoylamino)benzamide?
N,N,4-trimethyl-3-(propanoylamino)benzamide has a molecular weight of 234.30 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-3-(propanoylamino)benzamide is sourced from PubChem (CID 60650905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).