2,3-diphenyl-N-(2-phenylethyl)prop-2-enamide

C23H21NO — CID 2897013

IUPAC2,3-diphenyl-N-(2-phenylethyl)prop-2-enamide
SMILESO=C(NCCc1ccccc1)C(=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C23H21NO/c25-23(24-17-16-19-10-4-1-5-11-19)22(21-14-8-3-9-15-21)18-20-12-6-2-7-13-20/h1-15,18H,16-17H2,(H,24,25)
InChIKeyMMIVCKNQIPBTIR-UHFFFAOYSA-N
MW327.43 g/mol
LogP4.59
Rot. Bonds6

About 2,3-diphenyl-N-(2-phenylethyl)prop-2-enamide

2,3-diphenyl-N-(2-phenylethyl)prop-2-enamide (PubChem CID 2897013) has the molecular formula C23H21NO and a molecular weight of 327.43 g/mol. Its IUPAC name is 2,3-diphenyl-N-(2-phenylethyl)prop-2-enamide.

Molecular Properties

Compound Name2,3-diphenyl-N-(2-phenylethyl)prop-2-enamide
PubChem CID2897013
Molecular FormulaC23H21NO
Molecular Weight327.43 g/mol
Exact Mass327.16
IUPAC Name2,3-diphenyl-N-(2-phenylethyl)prop-2-enamide
SMILESO=C(NCCc1ccccc1)C(=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C23H21NO/c25-23(24-17-16-19-10-4-1-5-11-19)22(21-14-8-3-9-15-21)18-20-12-6-2-7-13-20/h1-15,18H,16-17H2,(H,24,25)
InChIKeyMMIVCKNQIPBTIR-UHFFFAOYSA-N
XLogP4.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-(4-methoxyphenyl)-2-phenyl-N-(2-phenylethyl)prop-2-enamide
CID 2290505
(Z)-N-[2-[4-(azepan-1-ylsulfonyl)phenyl]ethyl]-2,3-diphenylprop-2-enamide
CID 108759486
(E)-N-(2-methoxyethyl)-2,3-diphenylprop-2-enamide
CID 19174350
methyl 3-[[(E)-2,3-diphenylprop-2-enoyl]amino]propanoate
CID 102534464
(E)-N-[(4-chlorophenyl)methyl]-2,3-diphenylprop-2-enamide
CID 6523064
(E)-2,3-diphenyl-N-(pyridin-4-ylmethyl)prop-2-enamide
CID 889128
N-(2-phenylethyl)-N'-prop-2-enyloxamide
CID 2058117
(2Z)-2-hydroxyimino-2-phenyl-N-(2-phenylethyl)acetamide
CID 6401233
(Z)-N-(2-morpholin-4-ylethyl)-2,3-diphenylprop-2-enamide
CID 890168
(E)-2-hydroxy-3-[4-(N-phenylanilino)phenyl]-N-(2-phenylethyl)prop-2-enamide
CID 70997718
(Z)-2-hydroxy-3-[4-(N-phenylanilino)phenyl]-N-(2-phenylethyl)prop-2-enamide
CID 126604873
(E)-N-(4-ethylphenyl)-2,3-diphenylprop-2-enamide
CID 6534390

Frequently Asked Questions

What is the IUPAC name of 2,3-diphenyl-N-(2-phenylethyl)prop-2-enamide?
The IUPAC name of 2,3-diphenyl-N-(2-phenylethyl)prop-2-enamide (CID 2897013) is 2,3-diphenyl-N-(2-phenylethyl)prop-2-enamide.
What is the SMILES notation for 2,3-diphenyl-N-(2-phenylethyl)prop-2-enamide?
The canonical SMILES for 2,3-diphenyl-N-(2-phenylethyl)prop-2-enamide is O=C(NCCc1ccccc1)C(=Cc1ccccc1)c1ccccc1.
What is the InChIKey of 2,3-diphenyl-N-(2-phenylethyl)prop-2-enamide?
The InChIKey is MMIVCKNQIPBTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO/c25-23(24-17-16-19-10-4-1-5-11-19)22(21-14-8-3-9-15-21)18-20-12-6-2-7-13-20/h1-15,18H,16-17H2,(H,24,25).
What are the key properties of 2,3-diphenyl-N-(2-phenylethyl)prop-2-enamide?
2,3-diphenyl-N-(2-phenylethyl)prop-2-enamide has a molecular weight of 327.43 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diphenyl-N-(2-phenylethyl)prop-2-enamide is sourced from PubChem (CID 2897013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).