3-cyclohexyl-1-ethyl-1-[1-(2-ethylidenehex-3-enyl)pyrrolidin-3-yl]urea

C21H37N3O — CID 123514093

IUPAC3-cyclohexyl-1-ethyl-1-[1-(2-ethylidenehex-3-enyl)pyrrolidin-3-yl]urea
SMILESCC=C(C=CCC)CN1CCC(N(CC)C(=O)NC2CCCCC2)C1
InChIInChI=1S/C21H37N3O/c1-4-7-11-18(5-2)16-23-15-14-20(17-23)24(6-3)21(25)22-19-12-9-8-10-13-19/h5,7,11,19-20H,4,6,8-10,12-17H2,1-3H3,(H,22,25)
InChIKeyHEPWAMWYMUNQFY-UHFFFAOYSA-N
MW347.55 g/mol
LogP4.34
Rot. Bonds7

About 3-cyclohexyl-1-ethyl-1-[1-(2-ethylidenehex-3-enyl)pyrrolidin-3-yl]urea

3-cyclohexyl-1-ethyl-1-[1-(2-ethylidenehex-3-enyl)pyrrolidin-3-yl]urea (PubChem CID 123514093) has the molecular formula C21H37N3O and a molecular weight of 347.55 g/mol. Its IUPAC name is 3-cyclohexyl-1-ethyl-1-[1-(2-ethylidenehex-3-enyl)pyrrolidin-3-yl]urea.

Molecular Properties

Compound Name3-cyclohexyl-1-ethyl-1-[1-(2-ethylidenehex-3-enyl)pyrrolidin-3-yl]urea
PubChem CID123514093
Molecular FormulaC21H37N3O
Molecular Weight347.55 g/mol
Exact Mass347.29
IUPAC Name3-cyclohexyl-1-ethyl-1-[1-(2-ethylidenehex-3-enyl)pyrrolidin-3-yl]urea
SMILESCC=C(C=CCC)CN1CCC(N(CC)C(=O)NC2CCCCC2)C1
InChIInChI=1S/C21H37N3O/c1-4-7-11-18(5-2)16-23-15-14-20(17-23)24(6-3)21(25)22-19-12-9-8-10-13-19/h5,7,11,19-20H,4,6,8-10,12-17H2,1-3H3,(H,22,25)
InChIKeyHEPWAMWYMUNQFY-UHFFFAOYSA-N
XLogP4.34
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.55
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-cyclohexyl-1-ethyl-1-[(5E,7E,9E)-undeca-5,7,9-trienyl]urea
CID 87871332
1-Cyclohexyl-1-ethyl-3-undeca-5,7,9-trienylurea
CID 87871333
3-(dimethylamino)-N-(3-methylhepta-3,5-dien-2-yl)pyrrolidine-1-carboxamide
CID 123614318
1-(Cyclohexa-1,5-dien-1-ylmethyl)-3-piperidin-4-ylimidazolidin-2-one
CID 139307152
4-Prop-1-en-2-yl-1,6-diazabicyclo[3.2.1]oct-3-en-7-one
CID 141382043
N-(cyclohexa-1,3-dien-1-ylmethyl)-6-[2-[cyclohexyl(methyl)amino]ethyl]-2-oxo-3a,4-dihydro-3H-benzimidazole-1-carboxamide
CID 142160922
1-cyclohexyl-1-(methylaminomethyl)-3-[(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]urea
CID 143031263
3-amino-N-(1-ethylpyrrolidin-3-yl)-N-methylpyrrolidine-1-carboxamide;ethane;(3Z,5E)-6-ethylnona-3,5-diene
CID 143049028
ethane;1-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-4-methylimidazolidin-2-one
CID 143177592
1-(1,5,6,7,8,8a-hexahydroquinolin-4-ylmethyl)-3-[(3R)-1-methylpyrrolidin-3-yl]urea
CID 143260256
(5R)-5-cyclohexa-1,3-dien-1-yl-1-piperidin-4-ylimidazolidin-2-one
CID 143414078
1-(1,2-Dihydropyridin-5-ylmethyl)-3-(1-methylpyrrolidin-3-yl)urea
CID 143564719

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-ethyl-1-[1-(2-ethylidenehex-3-enyl)pyrrolidin-3-yl]urea?
The IUPAC name of 3-cyclohexyl-1-ethyl-1-[1-(2-ethylidenehex-3-enyl)pyrrolidin-3-yl]urea (CID 123514093) is 3-cyclohexyl-1-ethyl-1-[1-(2-ethylidenehex-3-enyl)pyrrolidin-3-yl]urea.
What is the SMILES notation for 3-cyclohexyl-1-ethyl-1-[1-(2-ethylidenehex-3-enyl)pyrrolidin-3-yl]urea?
The canonical SMILES for 3-cyclohexyl-1-ethyl-1-[1-(2-ethylidenehex-3-enyl)pyrrolidin-3-yl]urea is CC=C(C=CCC)CN1CCC(N(CC)C(=O)NC2CCCCC2)C1.
What is the InChIKey of 3-cyclohexyl-1-ethyl-1-[1-(2-ethylidenehex-3-enyl)pyrrolidin-3-yl]urea?
The InChIKey is HEPWAMWYMUNQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N3O/c1-4-7-11-18(5-2)16-23-15-14-20(17-23)24(6-3)21(25)22-19-12-9-8-10-13-19/h5,7,11,19-20H,4,6,8-10,12-17H2,1-3H3,(H,22,25).
What are the key properties of 3-cyclohexyl-1-ethyl-1-[1-(2-ethylidenehex-3-enyl)pyrrolidin-3-yl]urea?
3-cyclohexyl-1-ethyl-1-[1-(2-ethylidenehex-3-enyl)pyrrolidin-3-yl]urea has a molecular weight of 347.55 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-ethyl-1-[1-(2-ethylidenehex-3-enyl)pyrrolidin-3-yl]urea is sourced from PubChem (CID 123514093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).