N-ethyl-4-prop-2-enylbenzamide

C12H15NO — CID 137333139

IUPACN-ethyl-4-prop-2-enylbenzamide
SMILESC=CCc1ccc(C(=O)NCC)cc1
InChIInChI=1S/C12H15NO/c1-3-5-10-6-8-11(9-7-10)12(14)13-4-2/h3,6-9H,1,4-5H2,2H3,(H,13,14)
InChIKeyUZUGJZAFPCGKAL-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.16
Rot. Bonds4

About N-ethyl-4-prop-2-enylbenzamide

N-ethyl-4-prop-2-enylbenzamide (PubChem CID 137333139) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is N-ethyl-4-prop-2-enylbenzamide.

Molecular Properties

Compound NameN-ethyl-4-prop-2-enylbenzamide
PubChem CID137333139
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC NameN-ethyl-4-prop-2-enylbenzamide
SMILESC=CCc1ccc(C(=O)NCC)cc1
InChIInChI=1S/C12H15NO/c1-3-5-10-6-8-11(9-7-10)12(14)13-4-2/h3,6-9H,1,4-5H2,2H3,(H,13,14)
InChIKeyUZUGJZAFPCGKAL-UHFFFAOYSA-N
XLogP2.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-4-(prop-2-enylcarbamothioylamino)benzamide
CID 26169590
CID 153373554
CID 153373554
4-benzyl-N-ethylbenzamide
CID 134120069
4-(acetamidomethyl)-N-ethylbenzamide
CID 20648409
1,2-bis[4-(4-prop-2-enylphenyl)phenyl]ethane-1,2-dione
CID 67848404
4-(cyanomethyl)-N-ethylbenzamide
CID 82178780
N-ethyl-4-[(2-methylprop-2-enoylamino)methyl]benzamide
CID 59903019
ethane;N-ethyl-4-hydroxybenzamide
CID 144926309
N-ethylbenzamide
CID 160772566
N-ethyl-4-[[(4-ethylphenyl)methylcarbamoylamino]methyl]benzamide
CID 119041396
4-(methylsulfonylmethyl)-N-prop-2-enylbenzamide
CID 9442194
N-ethyl-4-trimethylstannylbenzamide
CID 163615316

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-prop-2-enylbenzamide?
The IUPAC name of N-ethyl-4-prop-2-enylbenzamide (CID 137333139) is N-ethyl-4-prop-2-enylbenzamide.
What is the SMILES notation for N-ethyl-4-prop-2-enylbenzamide?
The canonical SMILES for N-ethyl-4-prop-2-enylbenzamide is C=CCc1ccc(C(=O)NCC)cc1.
What is the InChIKey of N-ethyl-4-prop-2-enylbenzamide?
The InChIKey is UZUGJZAFPCGKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-3-5-10-6-8-11(9-7-10)12(14)13-4-2/h3,6-9H,1,4-5H2,2H3,(H,13,14).
What are the key properties of N-ethyl-4-prop-2-enylbenzamide?
N-ethyl-4-prop-2-enylbenzamide has a molecular weight of 189.26 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-prop-2-enylbenzamide is sourced from PubChem (CID 137333139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).