(E)-N-benzyl-N-[3-[2-[methyl(propyl)amino]-2-oxoethyl]phenyl]-3-phenylprop-2-enamide

C28H30N2O2 — CID 42859330

IUPAC(E)-N-benzyl-N-[3-[2-[methyl(propyl)amino]-2-oxoethyl]phenyl]-3-phenylprop-2-enamide
SMILESCCCN(C)C(=O)Cc1cccc(N(Cc2ccccc2)C(=O)/C=C/c2ccccc2)c1
InChIInChI=1S/C28H30N2O2/c1-3-19-29(2)28(32)21-25-15-10-16-26(20-25)30(22-24-13-8-5-9-14-24)27(31)18-17-23-11-6-4-7-12-23/h4-18,20H,3,19,21-22H2,1-2H3/b18-17+
InChIKeyFCIIOPFOEUJPGL-ISLYRVAYSA-N
MW426.56 g/mol
LogP5.34
Rot. Bonds9

About (E)-N-benzyl-N-[3-[2-[methyl(propyl)amino]-2-oxoethyl]phenyl]-3-phenylprop-2-enamide

(E)-N-benzyl-N-[3-[2-[methyl(propyl)amino]-2-oxoethyl]phenyl]-3-phenylprop-2-enamide (PubChem CID 42859330) has the molecular formula C28H30N2O2 and a molecular weight of 426.56 g/mol. Its IUPAC name is (E)-N-benzyl-N-[3-[2-[methyl(propyl)amino]-2-oxoethyl]phenyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-benzyl-N-[3-[2-[methyl(propyl)amino]-2-oxoethyl]phenyl]-3-phenylprop-2-enamide
PubChem CID42859330
Molecular FormulaC28H30N2O2
Molecular Weight426.56 g/mol
Exact Mass426.23
IUPAC Name(E)-N-benzyl-N-[3-[2-[methyl(propyl)amino]-2-oxoethyl]phenyl]-3-phenylprop-2-enamide
SMILESCCCN(C)C(=O)Cc1cccc(N(Cc2ccccc2)C(=O)/C=C/c2ccccc2)c1
InChIInChI=1S/C28H30N2O2/c1-3-19-29(2)28(32)21-25-15-10-16-26(20-25)30(22-24-13-8-5-9-14-24)27(31)18-17-23-11-6-4-7-12-23/h4-18,20H,3,19,21-22H2,1-2H3/b18-17+
InChIKeyFCIIOPFOEUJPGL-ISLYRVAYSA-N
XLogP5.34
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.56
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-[3-[2-[methyl(propyl)amino]-2-oxoethyl]phenyl]benzamide
CID 42859274
(E)-N-benzyl-N-[3-[2-(3-methylanilino)-2-oxoethyl]phenyl]-3-phenylprop-2-enamide
CID 46056577
N-[3-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]-3-phenylprop-2-enamide
CID 71957911
(E)-N-benzyl-N-[3-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]-3-phenylprop-2-enamide
CID 46056572
N-benzyl-N-[3-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]phenyl]-3-phenylprop-2-enamide
CID 71957937
(E)-N-[(4-fluorophenyl)methyl]-N-[3-[2-oxo-2-(1-phenylethylamino)ethyl]phenyl]-3-phenylprop-2-enamide
CID 46056872
N-[3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]phenyl]-N-benzyl-3-phenylprop-2-enamide
CID 71957930
N-[(4-fluorophenyl)methyl]-N-[3-[2-[methyl(propyl)amino]-2-oxoethyl]phenyl]cyclopentanecarboxamide
CID 42859503
N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(propylamino)ethyl]phenyl]-3-phenylprop-2-enamide
CID 71957751
(E)-N-[(4-fluorophenyl)methyl]-N-[3-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]phenyl]-3-phenylprop-2-enamide
CID 42859511
(E)-N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3-phenyl-N-propylprop-2-enamide
CID 6255006
(E)-3-(4-methylphenyl)-N-phenyl-N-propylprop-2-enamide
CID 126607669

Frequently Asked Questions

What is the IUPAC name of (E)-N-benzyl-N-[3-[2-[methyl(propyl)amino]-2-oxoethyl]phenyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-benzyl-N-[3-[2-[methyl(propyl)amino]-2-oxoethyl]phenyl]-3-phenylprop-2-enamide (CID 42859330) is (E)-N-benzyl-N-[3-[2-[methyl(propyl)amino]-2-oxoethyl]phenyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-benzyl-N-[3-[2-[methyl(propyl)amino]-2-oxoethyl]phenyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-benzyl-N-[3-[2-[methyl(propyl)amino]-2-oxoethyl]phenyl]-3-phenylprop-2-enamide is CCCN(C)C(=O)Cc1cccc(N(Cc2ccccc2)C(=O)/C=C/c2ccccc2)c1.
What is the InChIKey of (E)-N-benzyl-N-[3-[2-[methyl(propyl)amino]-2-oxoethyl]phenyl]-3-phenylprop-2-enamide?
The InChIKey is FCIIOPFOEUJPGL-ISLYRVAYSA-N. The full InChI is InChI=1S/C28H30N2O2/c1-3-19-29(2)28(32)21-25-15-10-16-26(20-25)30(22-24-13-8-5-9-14-24)27(31)18-17-23-11-6-4-7-12-23/h4-18,20H,3,19,21-22H2,1-2H3/b18-17+.
What are the key properties of (E)-N-benzyl-N-[3-[2-[methyl(propyl)amino]-2-oxoethyl]phenyl]-3-phenylprop-2-enamide?
(E)-N-benzyl-N-[3-[2-[methyl(propyl)amino]-2-oxoethyl]phenyl]-3-phenylprop-2-enamide has a molecular weight of 426.56 g/mol, XLogP of 5.34, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-benzyl-N-[3-[2-[methyl(propyl)amino]-2-oxoethyl]phenyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 42859330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).