N-[3-(3,4-dimethylphenyl)prop-2-enyl]acetamide

C13H17NO — CID 169464973

IUPACN-[3-(3,4-dimethylphenyl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1ccc(C)c(C)c1
InChIInChI=1S/C13H17NO/c1-10-6-7-13(9-11(10)2)5-4-8-14-12(3)15/h4-7,9H,8H2,1-3H3,(H,14,15)
InChIKeyFIYDQOZHKINIHW-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.45
Rot. Bonds3

About N-[3-(3,4-dimethylphenyl)prop-2-enyl]acetamide

N-[3-(3,4-dimethylphenyl)prop-2-enyl]acetamide (PubChem CID 169464973) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is N-[3-(3,4-dimethylphenyl)prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[3-(3,4-dimethylphenyl)prop-2-enyl]acetamide
PubChem CID169464973
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC NameN-[3-(3,4-dimethylphenyl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1ccc(C)c(C)c1
InChIInChI=1S/C13H17NO/c1-10-6-7-13(9-11(10)2)5-4-8-14-12(3)15/h4-7,9H,8H2,1-3H3,(H,14,15)
InChIKeyFIYDQOZHKINIHW-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[3-(4-bromo-3-methylphenyl)prop-2-enyl]acetamide
CID 169466489
N-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]acetamide
CID 169465296
N-[3-[3-amino-4-(trifluoromethyl)phenyl]prop-2-enyl]acetamide
CID 169466078
N-[3-[3-fluoro-4-(trifluoromethyl)phenyl]prop-2-enyl]acetamide
CID 169465955
N-[(E)-3-(4-methoxyphenyl)prop-2-enyl]acetamide
CID 129353993
tert-butyl N-[3-(4-methoxy-3-methylphenyl)prop-2-enyl]carbamate
CID 169467402
N-[3-(6-methoxy-5-methyl-3-pyridinyl)prop-2-enyl]acetamide
CID 169465538
(E)-3-(3,4-dimethylphenyl)prop-2-en-1-ol
CID 21017863
N-[3-(4-ethynylphenyl)prop-2-enyl]acetamide
CID 169464977
methyl 4-(3-acetamidoprop-1-enyl)benzoate
CID 169465710
N-[3-(5-methylthiophen-3-yl)prop-2-enyl]acetamide
CID 169464817
4-(3-acetamidoprop-1-enyl)pyridine-2-carboxylic acid
CID 169465521

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dimethylphenyl)prop-2-enyl]acetamide?
The IUPAC name of N-[3-(3,4-dimethylphenyl)prop-2-enyl]acetamide (CID 169464973) is N-[3-(3,4-dimethylphenyl)prop-2-enyl]acetamide.
What is the SMILES notation for N-[3-(3,4-dimethylphenyl)prop-2-enyl]acetamide?
The canonical SMILES for N-[3-(3,4-dimethylphenyl)prop-2-enyl]acetamide is CC(=O)NCC=Cc1ccc(C)c(C)c1.
What is the InChIKey of N-[3-(3,4-dimethylphenyl)prop-2-enyl]acetamide?
The InChIKey is FIYDQOZHKINIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-10-6-7-13(9-11(10)2)5-4-8-14-12(3)15/h4-7,9H,8H2,1-3H3,(H,14,15).
What are the key properties of N-[3-(3,4-dimethylphenyl)prop-2-enyl]acetamide?
N-[3-(3,4-dimethylphenyl)prop-2-enyl]acetamide has a molecular weight of 203.28 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dimethylphenyl)prop-2-enyl]acetamide is sourced from PubChem (CID 169464973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).