3-[benzyl(prop-2-enoyl)amino]propanamide

C13H16N2O2 — CID 54875316

IUPAC3-[benzyl(prop-2-enoyl)amino]propanamide
SMILESC=CC(=O)N(CCC(N)=O)Cc1ccccc1
InChIInChI=1S/C13H16N2O2/c1-2-13(17)15(9-8-12(14)16)10-11-6-4-3-5-7-11/h2-7H,1,8-10H2,(H2,14,16)
InChIKeyURQOHYAHKMTFDW-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.08
Rot. Bonds6

About 3-[benzyl(prop-2-enoyl)amino]propanamide

3-[benzyl(prop-2-enoyl)amino]propanamide (PubChem CID 54875316) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-[benzyl(prop-2-enoyl)amino]propanamide.

Molecular Properties

Compound Name3-[benzyl(prop-2-enoyl)amino]propanamide
PubChem CID54875316
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name3-[benzyl(prop-2-enoyl)amino]propanamide
SMILESC=CC(=O)N(CCC(N)=O)Cc1ccccc1
InChIInChI=1S/C13H16N2O2/c1-2-13(17)15(9-8-12(14)16)10-11-6-4-3-5-7-11/h2-7H,1,8-10H2,(H2,14,16)
InChIKeyURQOHYAHKMTFDW-UHFFFAOYSA-N
XLogP1.08
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N-[2-[benzyl(buta-1,3-dien-2-yl)amino]ethyl]prop-2-enamide
CID 135129741
1-N,4-N-bis(3-amino-3-oxopropyl)-1-N,4-N-dibenzylbenzene-1,4-dicarboxamide
CID 28642997
N,N'-bis(3-amino-3-oxopropyl)-N,N'-dibenzylhexanediamide
CID 28642999
N-benzyl-N-pentylprop-2-enamide
CID 176825792
3-[benzyl-(2,2,2-trichloroacetyl)amino]propanamide
CID 154136275
5-[(3-amino-3-oxopropyl)-benzylamino]-5-oxopentanoic acid
CID 28642443
3-[benzyl(ethylcarbamothioyl)amino]propanamide
CID 24540900
3-[benzyl(2-methylprop-2-enylcarbamothioyl)amino]propanamide
CID 24540914
N-benzyl-N-(cyanomethyl)prop-2-enamide
CID 61042063
N',N'-dibenzylbutanediamide
CID 101024490
N,N-bis(2-phenylethyl)prop-2-enamide
CID 57066259
N-(3-amino-3-oxopropyl)-N-benzyl-2-chlorobenzamide
CID 28642307

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(prop-2-enoyl)amino]propanamide?
The IUPAC name of 3-[benzyl(prop-2-enoyl)amino]propanamide (CID 54875316) is 3-[benzyl(prop-2-enoyl)amino]propanamide.
What is the SMILES notation for 3-[benzyl(prop-2-enoyl)amino]propanamide?
The canonical SMILES for 3-[benzyl(prop-2-enoyl)amino]propanamide is C=CC(=O)N(CCC(N)=O)Cc1ccccc1.
What is the InChIKey of 3-[benzyl(prop-2-enoyl)amino]propanamide?
The InChIKey is URQOHYAHKMTFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-2-13(17)15(9-8-12(14)16)10-11-6-4-3-5-7-11/h2-7H,1,8-10H2,(H2,14,16).
What are the key properties of 3-[benzyl(prop-2-enoyl)amino]propanamide?
3-[benzyl(prop-2-enoyl)amino]propanamide has a molecular weight of 232.28 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(prop-2-enoyl)amino]propanamide is sourced from PubChem (CID 54875316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).