N-ethyl-3-methyl-4-propan-2-ylbenzamide

C13H19NO — CID 58969990

IUPACN-ethyl-3-methyl-4-propan-2-ylbenzamide
SMILESCCNC(=O)c1ccc(C(C)C)c(C)c1
InChIInChI=1S/C13H19NO/c1-5-14-13(15)11-6-7-12(9(2)3)10(4)8-11/h6-9H,5H2,1-4H3,(H,14,15)
InChIKeyWBZZZAPEKWMLIC-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.87
Rot. Bonds3

About N-ethyl-3-methyl-4-propan-2-ylbenzamide

N-ethyl-3-methyl-4-propan-2-ylbenzamide (PubChem CID 58969990) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-ethyl-3-methyl-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-ethyl-3-methyl-4-propan-2-ylbenzamide
PubChem CID58969990
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-ethyl-3-methyl-4-propan-2-ylbenzamide
SMILESCCNC(=O)c1ccc(C(C)C)c(C)c1
InChIInChI=1S/C13H19NO/c1-5-14-13(15)11-6-7-12(9(2)3)10(4)8-11/h6-9H,5H2,1-4H3,(H,14,15)
InChIKeyWBZZZAPEKWMLIC-UHFFFAOYSA-N
XLogP2.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-4-propan-2-ylbenzohydrazide
CID 130427973
3-methyl-N,4-di(propan-2-yl)benzamide
CID 59515405
4-chloro-N-ethyl-3-methylbenzamide
CID 18712033
4-bromo-N-ethyl-3-methylbenzamide
CID 18712023
1-(3-methyl-4-propan-2-ylphenyl)ethanone
CID 89071977
N-ethyl-3-methyl-4-(2-methylpropylcarbamoylamino)benzamide
CID 47264617
4-(1-cyclopropylethylamino)-N-ethyl-3-methylbenzamide
CID 54864939
N-ethyl-4-(heptan-4-ylamino)-3-methylbenzamide
CID 60935830
3-acetamido-N-ethyl-4-methylbenzamide
CID 47211029
N-cyclobutyl-3-methyl-4-propan-2-ylbenzamide;molecular hydrogen
CID 159338969
N-ethyl-4-methyl-3-(pentan-3-ylamino)benzamide
CID 43734934
3-[[(2R)-2-aminopropanoyl]amino]-N-ethyl-4-methylbenzamide;hydrochloride
CID 119284386

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-4-propan-2-ylbenzamide?
The IUPAC name of N-ethyl-3-methyl-4-propan-2-ylbenzamide (CID 58969990) is N-ethyl-3-methyl-4-propan-2-ylbenzamide.
What is the SMILES notation for N-ethyl-3-methyl-4-propan-2-ylbenzamide?
The canonical SMILES for N-ethyl-3-methyl-4-propan-2-ylbenzamide is CCNC(=O)c1ccc(C(C)C)c(C)c1.
What is the InChIKey of N-ethyl-3-methyl-4-propan-2-ylbenzamide?
The InChIKey is WBZZZAPEKWMLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-5-14-13(15)11-6-7-12(9(2)3)10(4)8-11/h6-9H,5H2,1-4H3,(H,14,15).
What are the key properties of N-ethyl-3-methyl-4-propan-2-ylbenzamide?
N-ethyl-3-methyl-4-propan-2-ylbenzamide has a molecular weight of 205.30 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-4-propan-2-ylbenzamide is sourced from PubChem (CID 58969990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).