2-ethenyl-3-methyl-N-propan-2-ylbenzamide

C13H17NO — CID 169452425

IUPAC2-ethenyl-3-methyl-N-propan-2-ylbenzamide
SMILESC=Cc1c(C)cccc1C(=O)NC(C)C
InChIInChI=1S/C13H17NO/c1-5-11-10(4)7-6-8-12(11)13(15)14-9(2)3/h5-9H,1H2,2-4H3,(H,14,15)
InChIKeyAWCZZNJBVLWPEI-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.78
Rot. Bonds3

About 2-ethenyl-3-methyl-N-propan-2-ylbenzamide

2-ethenyl-3-methyl-N-propan-2-ylbenzamide (PubChem CID 169452425) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 2-ethenyl-3-methyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-ethenyl-3-methyl-N-propan-2-ylbenzamide
PubChem CID169452425
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name2-ethenyl-3-methyl-N-propan-2-ylbenzamide
SMILESC=Cc1c(C)cccc1C(=O)NC(C)C
InChIInChI=1S/C13H17NO/c1-5-11-10(4)7-6-8-12(11)13(15)14-9(2)3/h5-9H,1H2,2-4H3,(H,14,15)
InChIKeyAWCZZNJBVLWPEI-UHFFFAOYSA-N
XLogP2.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-cyclopentyl-2-ethenyl-3-methylbenzamide
CID 169452439
ethane;2-methyl-N-propan-2-ylbenzamide
CID 164554205
N-cyclopropyl-2-ethenyl-3-methylbenzamide
CID 169452426
tert-butyl 2-ethenyl-3-methylbenzoate
CID 172648999
2-ethenyl-3-methyl-N-(oxan-4-yl)benzamide
CID 169452441
N-but-3-en-2-yl-2-iodo-3-methylbenzamide
CID 103750095
N,2-di(propan-2-yl)benzamide
CID 14972595
2-hydroxy-1-N-methyl-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 153307876
2-iodo-6-methyl-N-propan-2-ylbenzamide
CID 162534014
3-(methanesulfonamido)-2-methyl-N-propan-2-ylbenzamide
CID 41454413
3-methyl-N-propan-2-yl-1H-indole-7-carboxamide
CID 166796769
N-butan-2-yl-2-hydroxy-3-methylbenzamide
CID 43176510

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-3-methyl-N-propan-2-ylbenzamide?
The IUPAC name of 2-ethenyl-3-methyl-N-propan-2-ylbenzamide (CID 169452425) is 2-ethenyl-3-methyl-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-ethenyl-3-methyl-N-propan-2-ylbenzamide?
The canonical SMILES for 2-ethenyl-3-methyl-N-propan-2-ylbenzamide is C=Cc1c(C)cccc1C(=O)NC(C)C.
What is the InChIKey of 2-ethenyl-3-methyl-N-propan-2-ylbenzamide?
The InChIKey is AWCZZNJBVLWPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-5-11-10(4)7-6-8-12(11)13(15)14-9(2)3/h5-9H,1H2,2-4H3,(H,14,15).
What are the key properties of 2-ethenyl-3-methyl-N-propan-2-ylbenzamide?
2-ethenyl-3-methyl-N-propan-2-ylbenzamide has a molecular weight of 203.28 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-3-methyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 169452425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).