4-(2,2-dimethylpropanoylamino)-N,3-dimethylbenzamide

C14H20N2O2 — CID 61215739

IUPAC4-(2,2-dimethylpropanoylamino)-N,3-dimethylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)C(C)(C)C)c(C)c1
InChIInChI=1S/C14H20N2O2/c1-9-8-10(12(17)15-5)6-7-11(9)16-13(18)14(2,3)4/h6-8H,1-5H3,(H,15,17)(H,16,18)
InChIKeySOYSSTMKHXWFEW-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.34
Rot. Bonds2

About 4-(2,2-dimethylpropanoylamino)-N,3-dimethylbenzamide

4-(2,2-dimethylpropanoylamino)-N,3-dimethylbenzamide (PubChem CID 61215739) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-(2,2-dimethylpropanoylamino)-N,3-dimethylbenzamide.

Molecular Properties

Compound Name4-(2,2-dimethylpropanoylamino)-N,3-dimethylbenzamide
PubChem CID61215739
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name4-(2,2-dimethylpropanoylamino)-N,3-dimethylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)C(C)(C)C)c(C)c1
InChIInChI=1S/C14H20N2O2/c1-9-8-10(12(17)15-5)6-7-11(9)16-13(18)14(2,3)4/h6-8H,1-5H3,(H,15,17)(H,16,18)
InChIKeySOYSSTMKHXWFEW-UHFFFAOYSA-N
XLogP2.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 4-(2,2-dimethylpropanoylamino)-3-methylbenzoate
CID 99771150
4-(butanoylamino)-N,3-dimethylbenzamide
CID 61216786
3-methyl-4-[[2-methyl-2-(methylamino)propanoyl]amino]benzoic acid
CID 62845966
4-[2-methyl-4-(methylcarbamoyl)anilino]-4-oxobutanoic acid
CID 54868212
4-(2-methoxypropanoylamino)-N,3-dimethylbenzamide
CID 47307868
5-hydroxy-N-[2-methyl-4-(methylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 63860452
N-ethyl-3-methyl-4-[[2-methyl-2-(methylamino)propanoyl]amino]benzamide
CID 62848154
4-[[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]carbamoylamino]-N,3-dimethylbenzamide
CID 95296510
4-[(2-chlorobenzoyl)amino]-N,3-dimethylbenzamide
CID 131930892
4-[[2-(cyclopropylmethylamino)acetyl]amino]-N,3-dimethylbenzamide
CID 60868336
4-(4-hydroxypentanoylamino)-N,3-dimethylbenzamide
CID 79204777
N,3-dimethyl-4-(prop-2-ynylamino)benzamide;3-methyl-4-(prop-2-ynylamino)benzoic acid
CID 167662505

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropanoylamino)-N,3-dimethylbenzamide?
The IUPAC name of 4-(2,2-dimethylpropanoylamino)-N,3-dimethylbenzamide (CID 61215739) is 4-(2,2-dimethylpropanoylamino)-N,3-dimethylbenzamide.
What is the SMILES notation for 4-(2,2-dimethylpropanoylamino)-N,3-dimethylbenzamide?
The canonical SMILES for 4-(2,2-dimethylpropanoylamino)-N,3-dimethylbenzamide is CNC(=O)c1ccc(NC(=O)C(C)(C)C)c(C)c1.
What is the InChIKey of 4-(2,2-dimethylpropanoylamino)-N,3-dimethylbenzamide?
The InChIKey is SOYSSTMKHXWFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9-8-10(12(17)15-5)6-7-11(9)16-13(18)14(2,3)4/h6-8H,1-5H3,(H,15,17)(H,16,18).
What are the key properties of 4-(2,2-dimethylpropanoylamino)-N,3-dimethylbenzamide?
4-(2,2-dimethylpropanoylamino)-N,3-dimethylbenzamide has a molecular weight of 248.33 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropanoylamino)-N,3-dimethylbenzamide is sourced from PubChem (CID 61215739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).