N-benzyl-N-[2-oxo-1-phenyl-2-(prop-2-enylamino)ethyl]-3-phenylpropanamide

C27H28N2O2 — CID 133237161

IUPACN-benzyl-N-[2-oxo-1-phenyl-2-(prop-2-enylamino)ethyl]-3-phenylpropanamide
SMILESC=CCNC(=O)C(c1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccccc1
InChIInChI=1S/C27H28N2O2/c1-2-20-28-27(31)26(24-16-10-5-11-17-24)29(21-23-14-8-4-9-15-23)25(30)19-18-22-12-6-3-7-13-22/h2-17,26H,1,18-21H2,(H,28,31)
InChIKeyOYGVNQWZKABRNW-UHFFFAOYSA-N
MW412.53 g/mol
LogP4.69
Rot. Bonds10

About N-benzyl-N-[2-oxo-1-phenyl-2-(prop-2-enylamino)ethyl]-3-phenylpropanamide

N-benzyl-N-[2-oxo-1-phenyl-2-(prop-2-enylamino)ethyl]-3-phenylpropanamide (PubChem CID 133237161) has the molecular formula C27H28N2O2 and a molecular weight of 412.53 g/mol. Its IUPAC name is N-benzyl-N-[2-oxo-1-phenyl-2-(prop-2-enylamino)ethyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-benzyl-N-[2-oxo-1-phenyl-2-(prop-2-enylamino)ethyl]-3-phenylpropanamide
PubChem CID133237161
Molecular FormulaC27H28N2O2
Molecular Weight412.53 g/mol
Exact Mass412.22
IUPAC NameN-benzyl-N-[2-oxo-1-phenyl-2-(prop-2-enylamino)ethyl]-3-phenylpropanamide
SMILESC=CCNC(=O)C(c1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccccc1
InChIInChI=1S/C27H28N2O2/c1-2-20-28-27(31)26(24-16-10-5-11-17-24)29(21-23-14-8-4-9-15-23)25(30)19-18-22-12-6-3-7-13-22/h2-17,26H,1,18-21H2,(H,28,31)
InChIKeyOYGVNQWZKABRNW-UHFFFAOYSA-N
XLogP4.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 54.69
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-3-[4-(ethylsulfamoyl)phenyl]-N-[2-oxo-1-phenyl-2-(prop-2-enylamino)ethyl]propanamide
CID 133236835
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-[2-(ethylamino)-2-oxo-1-phenylethyl]-N-[(4-fluorophenyl)methyl]-3-phenylpropanamide
CID 133238256
N-[(4-fluorophenyl)methyl]-N-[2-(3-methylbutylamino)-2-oxo-1-phenylethyl]-3-phenylpropanamide
CID 133238286
N-[(4-chlorophenyl)methyl]-N-[2-oxo-1-phenyl-2-(3-propan-2-yloxypropylamino)ethyl]-3-phenylpropanamide
CID 133237730
N-[(4-fluorophenyl)methyl]-N-[2-oxo-1-phenyl-2-(3-propan-2-yloxypropylamino)ethyl]-3-phenylpropanamide
CID 133238282
2-[[2-(2-chlorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-2-phenyl-N-prop-2-enylacetamide
CID 133238462
N-[(4-methoxyphenyl)methyl]-N-[2-oxo-1-phenyl-2-(2-phenylethylamino)ethyl]butanamide
CID 133238726
N-benzyl-3-[4-(cyclopropylsulfamoyl)phenyl]-N-[2-(2-hydroxyethylamino)-2-oxo-1-phenylethyl]propanamide
CID 133236966

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-oxo-1-phenyl-2-(prop-2-enylamino)ethyl]-3-phenylpropanamide?
The IUPAC name of N-benzyl-N-[2-oxo-1-phenyl-2-(prop-2-enylamino)ethyl]-3-phenylpropanamide (CID 133237161) is N-benzyl-N-[2-oxo-1-phenyl-2-(prop-2-enylamino)ethyl]-3-phenylpropanamide.
What is the SMILES notation for N-benzyl-N-[2-oxo-1-phenyl-2-(prop-2-enylamino)ethyl]-3-phenylpropanamide?
The canonical SMILES for N-benzyl-N-[2-oxo-1-phenyl-2-(prop-2-enylamino)ethyl]-3-phenylpropanamide is C=CCNC(=O)C(c1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccccc1.
What is the InChIKey of N-benzyl-N-[2-oxo-1-phenyl-2-(prop-2-enylamino)ethyl]-3-phenylpropanamide?
The InChIKey is OYGVNQWZKABRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O2/c1-2-20-28-27(31)26(24-16-10-5-11-17-24)29(21-23-14-8-4-9-15-23)25(30)19-18-22-12-6-3-7-13-22/h2-17,26H,1,18-21H2,(H,28,31).
What are the key properties of N-benzyl-N-[2-oxo-1-phenyl-2-(prop-2-enylamino)ethyl]-3-phenylpropanamide?
N-benzyl-N-[2-oxo-1-phenyl-2-(prop-2-enylamino)ethyl]-3-phenylpropanamide has a molecular weight of 412.53 g/mol, XLogP of 4.69, 10 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]-3-phenylpropanamide is sourced from PubChem (CID 133237161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).