(E)-3-(2-chlorophenyl)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-phenylprop-2-enamide

C25H24ClNO2 — CID 38015442

IUPAC(E)-3-(2-chlorophenyl)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-phenylprop-2-enamide
SMILESCCOc1ccc([C@@H](C)NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)cc1
InChIInChI=1S/C25H24ClNO2/c1-3-29-22-15-13-19(14-16-22)18(2)27-25(28)23(20-9-5-4-6-10-20)17-21-11-7-8-12-24(21)26/h4-18H,3H2,1-2H3,(H,27,28)/b23-17+/t18-/m1/s1
InChIKeyTUQZBGCLKUBLBA-KIJZHVTOSA-N
MW405.93 g/mol
LogP6.16
Rot. Bonds7

About (E)-3-(2-chlorophenyl)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-phenylprop-2-enamide

(E)-3-(2-chlorophenyl)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-phenylprop-2-enamide (PubChem CID 38015442) has the molecular formula C25H24ClNO2 and a molecular weight of 405.93 g/mol. Its IUPAC name is (E)-3-(2-chlorophenyl)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chlorophenyl)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-phenylprop-2-enamide
PubChem CID38015442
Molecular FormulaC25H24ClNO2
Molecular Weight405.93 g/mol
Exact Mass405.15
IUPAC Name(E)-3-(2-chlorophenyl)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-phenylprop-2-enamide
SMILESCCOc1ccc([C@@H](C)NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)cc1
InChIInChI=1S/C25H24ClNO2/c1-3-29-22-15-13-19(14-16-22)18(2)27-25(28)23(20-9-5-4-6-10-20)17-21-11-7-8-12-24(21)26/h4-18H,3H2,1-2H3,(H,27,28)/b23-17+/t18-/m1/s1
InChIKeyTUQZBGCLKUBLBA-KIJZHVTOSA-N
XLogP6.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.93
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

(E)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3-(3-nitrophenyl)-2-phenylprop-2-enamide
CID 92676195
(E)-N-[(2S)-butan-2-yl]-3-(2-chlorophenyl)-2-phenylprop-2-enamide
CID 807795
(E)-3-(2-chlorophenyl)-N-[(2S)-3-methylbutan-2-yl]-2-phenylprop-2-enamide
CID 100561841
(E)-3-(2-chlorophenyl)-N-[(S)-(4-methylphenyl)-phenylmethyl]-2-phenylprop-2-enamide
CID 38020071
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-phenylacetamide
CID 880798
(E)-N-[(1S)-1-(4-fluorophenyl)ethyl]-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 28566628
(E)-3-(2-chlorophenyl)-2-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]prop-2-enamide
CID 133191082
(E)-3-(2-chlorophenyl)-N-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1334364
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-phenylsulfanylacetamide
CID 28954114
(E)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 92682297
2,5-dichloro-N-[1-(4-ethoxyphenyl)ethyl]benzamide
CID 16580047
3-[4-[(2-chlorophenyl)methoxy]phenyl]-2-cyano-N-(1-phenylethyl)prop-2-enamide
CID 3766496

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chlorophenyl)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-phenylprop-2-enamide?
The IUPAC name of (E)-3-(2-chlorophenyl)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-phenylprop-2-enamide (CID 38015442) is (E)-3-(2-chlorophenyl)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-phenylprop-2-enamide.
What is the SMILES notation for (E)-3-(2-chlorophenyl)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-phenylprop-2-enamide?
The canonical SMILES for (E)-3-(2-chlorophenyl)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-phenylprop-2-enamide is CCOc1ccc([C@@H](C)NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)cc1.
What is the InChIKey of (E)-3-(2-chlorophenyl)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-phenylprop-2-enamide?
The InChIKey is TUQZBGCLKUBLBA-KIJZHVTOSA-N. The full InChI is InChI=1S/C25H24ClNO2/c1-3-29-22-15-13-19(14-16-22)18(2)27-25(28)23(20-9-5-4-6-10-20)17-21-11-7-8-12-24(21)26/h4-18H,3H2,1-2H3,(H,27,28)/b23-17+/t18-/m1/s1.
What are the key properties of (E)-3-(2-chlorophenyl)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-phenylprop-2-enamide?
(E)-3-(2-chlorophenyl)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-phenylprop-2-enamide has a molecular weight of 405.93 g/mol, XLogP of 6.16, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chlorophenyl)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-phenylprop-2-enamide is sourced from PubChem (CID 38015442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).