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

C22H26N2O2 — CID 133236940

IUPACN-benzyl-2-methyl-N-[2-oxo-1-phenyl-2-(prop-2-enylamino)ethyl]propanamide
SMILESC=CCNC(=O)C(c1ccccc1)N(Cc1ccccc1)C(=O)C(C)C
InChIInChI=1S/C22H26N2O2/c1-4-15-23-21(25)20(19-13-9-6-10-14-19)24(22(26)17(2)3)16-18-11-7-5-8-12-18/h4-14,17,20H,1,15-16H2,2-3H3,(H,23,25)
InChIKeyDPXLGUCLFBYOGB-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.71
Rot. Bonds8

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

N-benzyl-2-methyl-N-[2-oxo-1-phenyl-2-(prop-2-enylamino)ethyl]propanamide (PubChem CID 133236940) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-benzyl-2-methyl-N-[2-oxo-1-phenyl-2-(prop-2-enylamino)ethyl]propanamide.

Molecular Properties

Compound NameN-benzyl-2-methyl-N-[2-oxo-1-phenyl-2-(prop-2-enylamino)ethyl]propanamide
PubChem CID133236940
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC NameN-benzyl-2-methyl-N-[2-oxo-1-phenyl-2-(prop-2-enylamino)ethyl]propanamide
SMILESC=CCNC(=O)C(c1ccccc1)N(Cc1ccccc1)C(=O)C(C)C
InChIInChI=1S/C22H26N2O2/c1-4-15-23-21(25)20(19-13-9-6-10-14-19)24(22(26)17(2)3)16-18-11-7-5-8-12-18/h4-14,17,20H,1,15-16H2,2-3H3,(H,23,25)
InChIKeyDPXLGUCLFBYOGB-UHFFFAOYSA-N
XLogP3.71
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.71
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]propanamide
CID 133214951
N-benzyl-N-[2-(3-hydroxypropylamino)-2-oxo-1-phenylethyl]-2-methylpropanamide
CID 133237103
N-benzyl-N-[2-oxo-1-phenyl-2-(prop-2-enylamino)ethyl]-3-phenylpropanamide
CID 133237161
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-[2-(butylamino)-2-oxo-1-phenylethyl]-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
CID 133238194
N-[(4-chlorophenyl)methyl]-N-[2-(2-methoxyethylamino)-2-oxo-1-phenylethyl]-2-methylpropanamide
CID 133237646
N-benzyl-3-[4-(ethylsulfamoyl)phenyl]-N-[2-oxo-1-phenyl-2-(prop-2-enylamino)ethyl]propanamide
CID 133236835
N-[(4-chlorophenyl)methyl]-N-[2-[(2,4-dichlorophenyl)methylamino]-2-oxo-1-phenylethyl]-2-methylpropanamide
CID 133237652
2-[[2-(2-chlorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-2-phenyl-N-prop-2-enylacetamide
CID 133238462
N-benzyl-2-methyl-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]propanamide
CID 133148930
N-benzyl-2-methyl-N-[1-(3-methylbutylamino)-1-oxopropan-2-yl]propanamide
CID 133148950

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methyl-N-[2-oxo-1-phenyl-2-(prop-2-enylamino)ethyl]propanamide?
The IUPAC name of N-benzyl-2-methyl-N-[2-oxo-1-phenyl-2-(prop-2-enylamino)ethyl]propanamide (CID 133236940) is N-benzyl-2-methyl-N-[2-oxo-1-phenyl-2-(prop-2-enylamino)ethyl]propanamide.
What is the SMILES notation for N-benzyl-2-methyl-N-[2-oxo-1-phenyl-2-(prop-2-enylamino)ethyl]propanamide?
The canonical SMILES for N-benzyl-2-methyl-N-[2-oxo-1-phenyl-2-(prop-2-enylamino)ethyl]propanamide is C=CCNC(=O)C(c1ccccc1)N(Cc1ccccc1)C(=O)C(C)C.
What is the InChIKey of N-benzyl-2-methyl-N-[2-oxo-1-phenyl-2-(prop-2-enylamino)ethyl]propanamide?
The InChIKey is DPXLGUCLFBYOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-4-15-23-21(25)20(19-13-9-6-10-14-19)24(22(26)17(2)3)16-18-11-7-5-8-12-18/h4-14,17,20H,1,15-16H2,2-3H3,(H,23,25).
What are the key properties of N-benzyl-2-methyl-N-[2-oxo-1-phenyl-2-(prop-2-enylamino)ethyl]propanamide?
N-benzyl-2-methyl-N-[2-oxo-1-phenyl-2-(prop-2-enylamino)ethyl]propanamide has a molecular weight of 350.46 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methyl-N-[2-oxo-1-phenyl-2-(prop-2-enylamino)ethyl]propanamide is sourced from PubChem (CID 133236940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).