N-benzyl-N-[2-oxo-1-phenyl-2-(prop-2-enylamino)ethyl]propanamide

C21H24N2O2 — CID 133214951

IUPACN-benzyl-N-[2-oxo-1-phenyl-2-(prop-2-enylamino)ethyl]propanamide
SMILESC=CCNC(=O)C(c1ccccc1)N(Cc1ccccc1)C(=O)CC
InChIInChI=1S/C21H24N2O2/c1-3-15-22-21(25)20(18-13-9-6-10-14-18)23(19(24)4-2)16-17-11-7-5-8-12-17/h3,5-14,20H,1,4,15-16H2,2H3,(H,22,25)
InChIKeyVCDPMKPXWVEYCT-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.47
Rot. Bonds8

About N-benzyl-N-[2-oxo-1-phenyl-2-(prop-2-enylamino)ethyl]propanamide

N-benzyl-N-[2-oxo-1-phenyl-2-(prop-2-enylamino)ethyl]propanamide (PubChem CID 133214951) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-benzyl-N-[2-oxo-1-phenyl-2-(prop-2-enylamino)ethyl]propanamide.

Molecular Properties

Compound NameN-benzyl-N-[2-oxo-1-phenyl-2-(prop-2-enylamino)ethyl]propanamide
PubChem CID133214951
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-benzyl-N-[2-oxo-1-phenyl-2-(prop-2-enylamino)ethyl]propanamide
SMILESC=CCNC(=O)C(c1ccccc1)N(Cc1ccccc1)C(=O)CC
InChIInChI=1S/C21H24N2O2/c1-3-15-22-21(25)20(18-13-9-6-10-14-18)23(19(24)4-2)16-17-11-7-5-8-12-17/h3,5-14,20H,1,4,15-16H2,2H3,(H,22,25)
InChIKeyVCDPMKPXWVEYCT-UHFFFAOYSA-N
XLogP3.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-[2-oxo-1-phenyl-2-(prop-2-enylamino)ethyl]-3-phenylpropanamide
CID 133237161
N-benzyl-2-methyl-N-[2-oxo-1-phenyl-2-(prop-2-enylamino)ethyl]propanamide
CID 133236940
2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-2-phenyl-N-prop-2-enylacetamide
CID 133237193
2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-2-phenyl-N-prop-2-enylacetamide
CID 133236895
N-benzyl-3-[4-(ethylsulfamoyl)phenyl]-N-[2-oxo-1-phenyl-2-(prop-2-enylamino)ethyl]propanamide
CID 133236835
N-[(4-fluorophenyl)methyl]-N-[2-oxo-1-phenyl-2-(propylamino)ethyl]propanamide
CID 133238136
2-[[2-(2-chlorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-2-phenyl-N-prop-2-enylacetamide
CID 133238462
N-[(4-chlorophenyl)methyl]-N-[2-(2-methoxyethylamino)-2-oxo-1-phenylethyl]propanamide
CID 133237587
N-benzyl-N-ethenylpropanamide
CID 11469541
N-[(4-chlorophenyl)methyl]-N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxo-1-phenylethyl]propanamide
CID 133237584
2-[acetyl(benzyl)amino]-N-pentyl-2-phenylacetamide
CID 133237048
N-benzyl-2-[benzyl(propanoyl)amino]propanamide
CID 133148772

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-oxo-1-phenyl-2-(prop-2-enylamino)ethyl]propanamide?
The IUPAC name of N-benzyl-N-[2-oxo-1-phenyl-2-(prop-2-enylamino)ethyl]propanamide (CID 133214951) is N-benzyl-N-[2-oxo-1-phenyl-2-(prop-2-enylamino)ethyl]propanamide.
What is the SMILES notation for N-benzyl-N-[2-oxo-1-phenyl-2-(prop-2-enylamino)ethyl]propanamide?
The canonical SMILES for N-benzyl-N-[2-oxo-1-phenyl-2-(prop-2-enylamino)ethyl]propanamide is C=CCNC(=O)C(c1ccccc1)N(Cc1ccccc1)C(=O)CC.
What is the InChIKey of N-benzyl-N-[2-oxo-1-phenyl-2-(prop-2-enylamino)ethyl]propanamide?
The InChIKey is VCDPMKPXWVEYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-3-15-22-21(25)20(18-13-9-6-10-14-18)23(19(24)4-2)16-17-11-7-5-8-12-17/h3,5-14,20H,1,4,15-16H2,2H3,(H,22,25).
What are the key properties of N-benzyl-N-[2-oxo-1-phenyl-2-(prop-2-enylamino)ethyl]propanamide?
N-benzyl-N-[2-oxo-1-phenyl-2-(prop-2-enylamino)ethyl]propanamide has a molecular weight of 336.44 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-oxo-1-phenyl-2-(prop-2-enylamino)ethyl]propanamide is sourced from PubChem (CID 133214951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).