2-ethyl-N-(4-fluorophenyl)-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]hexanamide

C24H30FNO2 — CID 42698622

IUPAC2-ethyl-N-(4-fluorophenyl)-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]hexanamide
SMILESCCCCC(CC)C(=O)N(C/C=C/c1ccccc1OC)c1ccc(F)cc1
InChIInChI=1S/C24H30FNO2/c1-4-6-10-19(5-2)24(27)26(22-16-14-21(25)15-17-22)18-9-12-20-11-7-8-13-23(20)28-3/h7-9,11-17,19H,4-6,10,18H2,1-3H3/b12-9+
InChIKeyDSKDPETZBRDGNC-FMIVXFBMSA-N
MW383.51 g/mol
LogP6.10
Rot. Bonds10

About 2-ethyl-N-(4-fluorophenyl)-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]hexanamide

2-ethyl-N-(4-fluorophenyl)-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]hexanamide (PubChem CID 42698622) has the molecular formula C24H30FNO2 and a molecular weight of 383.51 g/mol. Its IUPAC name is 2-ethyl-N-(4-fluorophenyl)-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]hexanamide.

Molecular Properties

Compound Name2-ethyl-N-(4-fluorophenyl)-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]hexanamide
PubChem CID42698622
Molecular FormulaC24H30FNO2
Molecular Weight383.51 g/mol
Exact Mass383.23
IUPAC Name2-ethyl-N-(4-fluorophenyl)-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]hexanamide
SMILESCCCCC(CC)C(=O)N(C/C=C/c1ccccc1OC)c1ccc(F)cc1
InChIInChI=1S/C24H30FNO2/c1-4-6-10-19(5-2)24(27)26(22-16-14-21(25)15-17-22)18-9-12-20-11-7-8-13-23(20)28-3/h7-9,11-17,19H,4-6,10,18H2,1-3H3/b12-9+
InChIKeyDSKDPETZBRDGNC-FMIVXFBMSA-N
XLogP6.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.51
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-fluorophenyl)-2-ethyl-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]hexanamide
CID 42698579
1-(4-fluorophenyl)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 42698114
2-chloro-N-(3-chloro-4-fluorophenyl)-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-2-phenylacetamide
CID 42698583
1,7-bis(2-methoxyphenyl)hepta-1,6-dien-4-one
CID 140987321
(E)-1-(2-methoxyphenyl)hept-1-en-3-one
CID 132991130
(E)-1-(2-methoxyphenyl)oct-1-en-3-one
CID 135037607
N-(3-aminopropyl)-2-ethyl-N-phenylhexanamide
CID 43135930
(Z)-1-(2-methoxyphenyl)non-1-en-3-one
CID 92528941
4-(2-methoxyphenyl)but-3-enamide
CID 170797506
N-butyl-4-[2-[(4-fluorobenzoyl)-[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]ethyl]piperazine-1-carboxamide
CID 42710364
[2-(2-ethylhexanoyloxy)phenyl] 2-ethylhexanoate
CID 122421017
2-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]pentanoic acid
CID 120509471

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(4-fluorophenyl)-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]hexanamide?
The IUPAC name of 2-ethyl-N-(4-fluorophenyl)-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]hexanamide (CID 42698622) is 2-ethyl-N-(4-fluorophenyl)-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]hexanamide.
What is the SMILES notation for 2-ethyl-N-(4-fluorophenyl)-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]hexanamide?
The canonical SMILES for 2-ethyl-N-(4-fluorophenyl)-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]hexanamide is CCCCC(CC)C(=O)N(C/C=C/c1ccccc1OC)c1ccc(F)cc1.
What is the InChIKey of 2-ethyl-N-(4-fluorophenyl)-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]hexanamide?
The InChIKey is DSKDPETZBRDGNC-FMIVXFBMSA-N. The full InChI is InChI=1S/C24H30FNO2/c1-4-6-10-19(5-2)24(27)26(22-16-14-21(25)15-17-22)18-9-12-20-11-7-8-13-23(20)28-3/h7-9,11-17,19H,4-6,10,18H2,1-3H3/b12-9+.
What are the key properties of 2-ethyl-N-(4-fluorophenyl)-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]hexanamide?
2-ethyl-N-(4-fluorophenyl)-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]hexanamide has a molecular weight of 383.51 g/mol, XLogP of 6.10, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(4-fluorophenyl)-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]hexanamide is sourced from PubChem (CID 42698622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).