(E)-N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-3-phenylprop-2-enamide

C21H26N2O — CID 15983686

IUPAC(E)-N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-3-phenylprop-2-enamide
SMILESCc1ccc(C(CCN(C)C)NC(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C21H26N2O/c1-17-9-12-19(13-10-17)20(15-16-23(2)3)22-21(24)14-11-18-7-5-4-6-8-18/h4-14,20H,15-16H2,1-3H3,(H,22,24)/b14-11+
InChIKeyPPDLFOJHCJTAGM-SDNWHVSQSA-N
MW322.45 g/mol
LogP3.82
Rot. Bonds7

About (E)-N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-3-phenylprop-2-enamide

(E)-N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-3-phenylprop-2-enamide (PubChem CID 15983686) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is (E)-N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-3-phenylprop-2-enamide
PubChem CID15983686
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name(E)-N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-3-phenylprop-2-enamide
SMILESCc1ccc(C(CCN(C)C)NC(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C21H26N2O/c1-17-9-12-19(13-10-17)20(15-16-23(2)3)22-21(24)14-11-18-7-5-4-6-8-18/h4-14,20H,15-16H2,1-3H3,(H,22,24)/b14-11+
InChIKeyPPDLFOJHCJTAGM-SDNWHVSQSA-N
XLogP3.82
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Remacemide
CID 60511
AR-M1000390
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SA-58035
CID 122215
N-Phenethyl-3-phenyl-acrylamide
CID 795855
((E)-N-4-(1,2,3,4-tetrahydroisoquinolin-2-yl)butyl)-3-phenylacrylamide
CID 10065496
N,N-diethyl-4-((3-fluorophenyl)(piperidin-4-ylidene)methyl)benzamide
CID 10570940
4-Tert-butyl-N-(2-phenylethyl)benzamide
CID 809340
n,n'-Dibenzylmalonamide
CID 735256
1-Benzyl-N5-cyclopropyl-N3-methyl-2-oxo-1,2-dihydropyridine-3,5-dicarboxamide
CID 126648559
N-(1-benzylpiperidin-4-yl)-2-methylbenzamide
CID 702493

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-3-phenylprop-2-enamide (CID 15983686) is (E)-N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-3-phenylprop-2-enamide is Cc1ccc(C(CCN(C)C)NC(=O)/C=C/c2ccccc2)cc1.
What is the InChIKey of (E)-N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-3-phenylprop-2-enamide?
The InChIKey is PPDLFOJHCJTAGM-SDNWHVSQSA-N. The full InChI is InChI=1S/C21H26N2O/c1-17-9-12-19(13-10-17)20(15-16-23(2)3)22-21(24)14-11-18-7-5-4-6-8-18/h4-14,20H,15-16H2,1-3H3,(H,22,24)/b14-11+.
What are the key properties of (E)-N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-3-phenylprop-2-enamide?
(E)-N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-3-phenylprop-2-enamide has a molecular weight of 322.45 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 15983686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).