3-cyclohexyl-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1-(2-propylpentyl)urea

C24H37FN2O — CID 144721250

IUPAC3-cyclohexyl-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1-(2-propylpentyl)urea
SMILESCCCC(CCC)CN(C/C=C/c1ccc(F)cc1)C(=O)NC1CCCCC1
InChIInChI=1S/C24H37FN2O/c1-3-9-21(10-4-2)19-27(24(28)26-23-12-6-5-7-13-23)18-8-11-20-14-16-22(25)17-15-20/h8,11,14-17,21,23H,3-7,9-10,12-13,18-19H2,1-2H3,(H,26,28)/b11-8+
InChIKeyGYIATQQWVDNPLW-DHZHZOJOSA-N
MW388.57 g/mol
LogP6.40
Rot. Bonds10

About 3-cyclohexyl-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1-(2-propylpentyl)urea

3-cyclohexyl-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1-(2-propylpentyl)urea (PubChem CID 144721250) has the molecular formula C24H37FN2O and a molecular weight of 388.57 g/mol. Its IUPAC name is 3-cyclohexyl-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1-(2-propylpentyl)urea.

Molecular Properties

Compound Name3-cyclohexyl-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1-(2-propylpentyl)urea
PubChem CID144721250
Molecular FormulaC24H37FN2O
Molecular Weight388.57 g/mol
Exact Mass388.29
IUPAC Name3-cyclohexyl-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1-(2-propylpentyl)urea
SMILESCCCC(CCC)CN(C/C=C/c1ccc(F)cc1)C(=O)NC1CCCCC1
InChIInChI=1S/C24H37FN2O/c1-3-9-21(10-4-2)19-27(24(28)26-23-12-6-5-7-13-23)18-8-11-20-14-16-22(25)17-15-20/h8,11,14-17,21,23H,3-7,9-10,12-13,18-19H2,1-2H3,(H,26,28)/b11-8+
InChIKeyGYIATQQWVDNPLW-DHZHZOJOSA-N
XLogP6.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.57
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-cyclohexyl-1-[(2,5-difluorophenyl)methyl]-1-(piperidin-4-ylmethyl)urea
CID 86300062
(E)-N-ethyl-3-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)prop-2-enamide
CID 106626270
(2R)-N-cyclohexyl-2-(4-fluorophenoxy)butanamide
CID 28569448
3-cyclopentyl-1-ethyl-1-[(3-fluorophenyl)methyl]urea
CID 38162216
3-cyclopentyl-1-methyl-1-pentan-2-ylurea
CID 115581562
2-[(2-chloroacetyl)-propylamino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide
CID 4688308
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate
CID 8663810
(Z)-N-cyclooctyl-3-(4-ethylphenyl)prop-2-enamide
CID 19579728
N-cyclohexyl-2-[(4-fluorophenyl)methyl-propanoylamino]propanamide
CID 132760851
(E)-3-(4-fluorophenyl)-N,N-dipropylprop-2-en-1-amine
CID 164887975
N-ethyl-3-(4-fluorophenyl)-N-(piperidin-4-ylmethyl)prop-2-enamide
CID 79700451
(2S,4R)-4-acetamido-N,N-diethyl-1-[3-(4-fluorophenyl)prop-2-enyl]pyrrolidine-2-carboxamide
CID 91940074

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1-(2-propylpentyl)urea?
The IUPAC name of 3-cyclohexyl-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1-(2-propylpentyl)urea (CID 144721250) is 3-cyclohexyl-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1-(2-propylpentyl)urea.
What is the SMILES notation for 3-cyclohexyl-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1-(2-propylpentyl)urea?
The canonical SMILES for 3-cyclohexyl-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1-(2-propylpentyl)urea is CCCC(CCC)CN(C/C=C/c1ccc(F)cc1)C(=O)NC1CCCCC1.
What is the InChIKey of 3-cyclohexyl-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1-(2-propylpentyl)urea?
The InChIKey is GYIATQQWVDNPLW-DHZHZOJOSA-N. The full InChI is InChI=1S/C24H37FN2O/c1-3-9-21(10-4-2)19-27(24(28)26-23-12-6-5-7-13-23)18-8-11-20-14-16-22(25)17-15-20/h8,11,14-17,21,23H,3-7,9-10,12-13,18-19H2,1-2H3,(H,26,28)/b11-8+.
What are the key properties of 3-cyclohexyl-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1-(2-propylpentyl)urea?
3-cyclohexyl-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1-(2-propylpentyl)urea has a molecular weight of 388.57 g/mol, XLogP of 6.40, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1-(2-propylpentyl)urea is sourced from PubChem (CID 144721250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).