4-methyl-3-(propanoylamino)-N-propan-2-ylbenzamide

C14H20N2O2 — CID 131895786

IUPAC4-methyl-3-(propanoylamino)-N-propan-2-ylbenzamide
SMILESCCC(=O)Nc1cc(C(=O)NC(C)C)ccc1C
InChIInChI=1S/C14H20N2O2/c1-5-13(17)16-12-8-11(7-6-10(12)4)14(18)15-9(2)3/h6-9H,5H2,1-4H3,(H,15,18)(H,16,17)
InChIKeyWWVYLDVKECJXIN-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.48
Rot. Bonds4

About 4-methyl-3-(propanoylamino)-N-propan-2-ylbenzamide

4-methyl-3-(propanoylamino)-N-propan-2-ylbenzamide (PubChem CID 131895786) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-methyl-3-(propanoylamino)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-methyl-3-(propanoylamino)-N-propan-2-ylbenzamide
PubChem CID131895786
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name4-methyl-3-(propanoylamino)-N-propan-2-ylbenzamide
SMILESCCC(=O)Nc1cc(C(=O)NC(C)C)ccc1C
InChIInChI=1S/C14H20N2O2/c1-5-13(17)16-12-8-11(7-6-10(12)4)14(18)15-9(2)3/h6-9H,5H2,1-4H3,(H,15,18)(H,16,17)
InChIKeyWWVYLDVKECJXIN-UHFFFAOYSA-N
XLogP2.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-3-(propanoylamino)benzoic acid
CID 888092
3-(2-methoxybutanoylamino)-4-methyl-N-propan-2-ylbenzamide
CID 131929851
4-methyl-3-(propanoylamino)benzoate
CID 4745923
N,N,4-trimethyl-3-(propanoylamino)benzamide
CID 60650905
N-[2-methyl-5-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]phenyl]propanamide
CID 54844965
4-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54840290
3-benzamido-4-methyl-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide
CID 46432967
3-methyl-5-[2-methyl-5-(methylcarbamoyl)anilino]-5-oxopentanoic acid
CID 62963858
3-benzamido-4-methyl-N-[4-(propanoylamino)phenyl]benzamide
CID 55788298
methyl 4-methyl-3-(propan-2-ylcarbamoylamino)benzoate
CID 47173546
3-(3-aminobutanoylamino)-N,4-dimethylbenzamide
CID 60843540
4-(4-aminobutanoylamino)-3-methyl-N-propan-2-ylbenzamide
CID 119300432

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(propanoylamino)-N-propan-2-ylbenzamide?
The IUPAC name of 4-methyl-3-(propanoylamino)-N-propan-2-ylbenzamide (CID 131895786) is 4-methyl-3-(propanoylamino)-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-methyl-3-(propanoylamino)-N-propan-2-ylbenzamide?
The canonical SMILES for 4-methyl-3-(propanoylamino)-N-propan-2-ylbenzamide is CCC(=O)Nc1cc(C(=O)NC(C)C)ccc1C.
What is the InChIKey of 4-methyl-3-(propanoylamino)-N-propan-2-ylbenzamide?
The InChIKey is WWVYLDVKECJXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-5-13(17)16-12-8-11(7-6-10(12)4)14(18)15-9(2)3/h6-9H,5H2,1-4H3,(H,15,18)(H,16,17).
What are the key properties of 4-methyl-3-(propanoylamino)-N-propan-2-ylbenzamide?
4-methyl-3-(propanoylamino)-N-propan-2-ylbenzamide has a molecular weight of 248.33 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(propanoylamino)-N-propan-2-ylbenzamide is sourced from PubChem (CID 131895786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).