N-benzyl-N-ethenylpropanamide

C12H15NO — CID 11469541

IUPACN-benzyl-N-ethenylpropanamide
SMILESC=CN(Cc1ccccc1)C(=O)CC
InChIInChI=1S/C12H15NO/c1-3-12(14)13(4-2)10-11-8-6-5-7-9-11/h4-9H,2-3,10H2,1H3
InChIKeyOCUZBQVNYYVLBO-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.57
Rot. Bonds4

About N-benzyl-N-ethenylpropanamide

N-benzyl-N-ethenylpropanamide (PubChem CID 11469541) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is N-benzyl-N-ethenylpropanamide.

Molecular Properties

Compound NameN-benzyl-N-ethenylpropanamide
PubChem CID11469541
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC NameN-benzyl-N-ethenylpropanamide
SMILESC=CN(Cc1ccccc1)C(=O)CC
InChIInChI=1S/C12H15NO/c1-3-12(14)13(4-2)10-11-8-6-5-7-9-11/h4-9H,2-3,10H2,1H3
InChIKeyOCUZBQVNYYVLBO-UHFFFAOYSA-N
XLogP2.57
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

benzyl(ethenyl)carbamic acid
CID 22377754
N-benzyl-N-[2-oxo-1-phenyl-2-(prop-2-enylamino)ethyl]propanamide
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3-amino-N-benzyl-N-propanoylpropanamide
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N-benzyl-N-(2-chloroethyl)propanamide
CID 63390961
N-benzyl-N-butylpropanamide
CID 12502571
N,N-dimethyl-1-phenylmethanamine;prop-2-enamide
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2-[benzyl(prop-2-enyl)amino]propanoic acid
CID 119134454
(2S)-3-[benzyl(propanoyl)amino]-2-methylpropanoic acid
CID 95537487
N,N-dibenzylbut-2-enamide
CID 71340814
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
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CID 13494620

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethenylpropanamide?
The IUPAC name of N-benzyl-N-ethenylpropanamide (CID 11469541) is N-benzyl-N-ethenylpropanamide.
What is the SMILES notation for N-benzyl-N-ethenylpropanamide?
The canonical SMILES for N-benzyl-N-ethenylpropanamide is C=CN(Cc1ccccc1)C(=O)CC.
What is the InChIKey of N-benzyl-N-ethenylpropanamide?
The InChIKey is OCUZBQVNYYVLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-3-12(14)13(4-2)10-11-8-6-5-7-9-11/h4-9H,2-3,10H2,1H3.
What are the key properties of N-benzyl-N-ethenylpropanamide?
N-benzyl-N-ethenylpropanamide has a molecular weight of 189.26 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethenylpropanamide is sourced from PubChem (CID 11469541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).