(Z)-2-acetamido-3-phenyl-N-(1-phenylbutan-2-yl)prop-2-enamide

C21H24N2O2 — CID 46371241

IUPAC(Z)-2-acetamido-3-phenyl-N-(1-phenylbutan-2-yl)prop-2-enamide
SMILESCCC(Cc1ccccc1)NC(=O)/C(=C/c1ccccc1)NC(C)=O
InChIInChI=1S/C21H24N2O2/c1-3-19(14-17-10-6-4-7-11-17)23-21(25)20(22-16(2)24)15-18-12-8-5-9-13-18/h4-13,15,19H,3,14H2,1-2H3,(H,22,24)(H,23,25)/b20-15-
InChIKeyUOLSXPZIGROLQR-HKWRFOASSA-N
MW336.44 g/mol
LogP3.30
Rot. Bonds7

About (Z)-2-acetamido-3-phenyl-N-(1-phenylbutan-2-yl)prop-2-enamide

(Z)-2-acetamido-3-phenyl-N-(1-phenylbutan-2-yl)prop-2-enamide (PubChem CID 46371241) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is (Z)-2-acetamido-3-phenyl-N-(1-phenylbutan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-acetamido-3-phenyl-N-(1-phenylbutan-2-yl)prop-2-enamide
PubChem CID46371241
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name(Z)-2-acetamido-3-phenyl-N-(1-phenylbutan-2-yl)prop-2-enamide
SMILESCCC(Cc1ccccc1)NC(=O)/C(=C/c1ccccc1)NC(C)=O
InChIInChI=1S/C21H24N2O2/c1-3-19(14-17-10-6-4-7-11-17)23-21(25)20(22-16(2)24)15-18-12-8-5-9-13-18/h4-13,15,19H,3,14H2,1-2H3,(H,22,24)(H,23,25)/b20-15-
InChIKeyUOLSXPZIGROLQR-HKWRFOASSA-N
XLogP3.30
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Tentoxin
CID 5281143
N-Phenethyl-3-phenyl-acrylamide
CID 795855
5-(Phenethylamino)uracil
CID 309182
N-[(2S)-3-methyl-1-oxo-1-(2-phenylethylamino)butan-2-yl]benzamide
CID 2211217
N,N'-Dibenzyloxamide
CID 219253
Phenylalanylphenylalanylamide
CID 85169
(D)-Phe-(D)-Phe-NH2
CID 7037588
(L)-Phe-(D)-Phe-NH2
CID 7088460
Ac-Phe-Phe-NH2
CID 11100291
1-Hydroxy-6-[(4-Phenylbenzyl)carbamoyl]-2-pyridinone
CID 24857924
N-(2,2-diphenylethyl)-1,5-dimethyl-N-[2-(methylamino)-2-oxidanylidene-ethyl]-6-oxidanylidene-pyridine-3-carboxamide
CID 156009105
N-{3-methyl-1-oxo-1-[(2-phenylethyl)amino]butan-2-yl}cyclohexanecarboxamide
CID 16003386

Frequently Asked Questions

What is the IUPAC name of (Z)-2-acetamido-3-phenyl-N-(1-phenylbutan-2-yl)prop-2-enamide?
The IUPAC name of (Z)-2-acetamido-3-phenyl-N-(1-phenylbutan-2-yl)prop-2-enamide (CID 46371241) is (Z)-2-acetamido-3-phenyl-N-(1-phenylbutan-2-yl)prop-2-enamide.
What is the SMILES notation for (Z)-2-acetamido-3-phenyl-N-(1-phenylbutan-2-yl)prop-2-enamide?
The canonical SMILES for (Z)-2-acetamido-3-phenyl-N-(1-phenylbutan-2-yl)prop-2-enamide is CCC(Cc1ccccc1)NC(=O)/C(=C/c1ccccc1)NC(C)=O.
What is the InChIKey of (Z)-2-acetamido-3-phenyl-N-(1-phenylbutan-2-yl)prop-2-enamide?
The InChIKey is UOLSXPZIGROLQR-HKWRFOASSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-3-19(14-17-10-6-4-7-11-17)23-21(25)20(22-16(2)24)15-18-12-8-5-9-13-18/h4-13,15,19H,3,14H2,1-2H3,(H,22,24)(H,23,25)/b20-15-.
What are the key properties of (Z)-2-acetamido-3-phenyl-N-(1-phenylbutan-2-yl)prop-2-enamide?
(Z)-2-acetamido-3-phenyl-N-(1-phenylbutan-2-yl)prop-2-enamide has a molecular weight of 336.44 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-acetamido-3-phenyl-N-(1-phenylbutan-2-yl)prop-2-enamide is sourced from PubChem (CID 46371241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).