3-cyclohexyl-1-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]-1-propylurea

C20H34N2O — CID 134088576

IUPAC3-cyclohexyl-1-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]-1-propylurea
SMILESC=C(C)C1CC=C(CN(CCC)C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C20H34N2O/c1-4-14-22(20(23)21-19-8-6-5-7-9-19)15-17-10-12-18(13-11-17)16(2)3/h10,18-19H,2,4-9,11-15H2,1,3H3,(H,21,23)
InChIKeyQTRJWCSAKSOZJS-UHFFFAOYSA-N
MW318.51 g/mol
LogP5.04
Rot. Bonds6

About 3-cyclohexyl-1-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]-1-propylurea

3-cyclohexyl-1-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]-1-propylurea (PubChem CID 134088576) has the molecular formula C20H34N2O and a molecular weight of 318.51 g/mol. Its IUPAC name is 3-cyclohexyl-1-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]-1-propylurea.

Molecular Properties

Compound Name3-cyclohexyl-1-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]-1-propylurea
PubChem CID134088576
Molecular FormulaC20H34N2O
Molecular Weight318.51 g/mol
Exact Mass318.27
IUPAC Name3-cyclohexyl-1-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]-1-propylurea
SMILESC=C(C)C1CC=C(CN(CCC)C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C20H34N2O/c1-4-14-22(20(23)21-19-8-6-5-7-9-19)15-17-10-12-18(13-11-17)16(2)3/h10,18-19H,2,4-9,11-15H2,1,3H3,(H,21,23)
InChIKeyQTRJWCSAKSOZJS-UHFFFAOYSA-N
XLogP5.04
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.51
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-cyclohexyl-1-[2-(dimethylamino)ethyl]-1-propylurea
CID 113231661
1-butyl-3-cyclopentyl-1-propylurea
CID 108902721
3-cyclohexyl-1-ethyl-1-(2-methylprop-2-enyl)urea
CID 115573886
3-cyclobutyl-1-propyl-1-(2,2,2-trifluoroethyl)urea
CID 116655133
1-butyl-3-cyclohexyl-1-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]urea
CID 42698096
3-cyclohexyl-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea
CID 79386772
4-[[cyclohexylmethyl(propyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122025047
1-(3-aminopropyl)-3-cyclobutyl-1-propylurea
CID 116658088
(4-prop-1-en-2-ylcyclohexen-1-yl)methyl 2-methylpropanoate
CID 101320060
3-(4-prop-1-en-2-ylcyclohexen-1-yl)propan-1-ol
CID 15222644
1-N-cycloheptyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 109056099
2-N-cycloheptyl-6-N,6-N-dipropylpyridine-2,6-dicarboxamide
CID 109099249

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]-1-propylurea?
The IUPAC name of 3-cyclohexyl-1-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]-1-propylurea (CID 134088576) is 3-cyclohexyl-1-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]-1-propylurea.
What is the SMILES notation for 3-cyclohexyl-1-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]-1-propylurea?
The canonical SMILES for 3-cyclohexyl-1-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]-1-propylurea is C=C(C)C1CC=C(CN(CCC)C(=O)NC2CCCCC2)CC1.
What is the InChIKey of 3-cyclohexyl-1-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]-1-propylurea?
The InChIKey is QTRJWCSAKSOZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O/c1-4-14-22(20(23)21-19-8-6-5-7-9-19)15-17-10-12-18(13-11-17)16(2)3/h10,18-19H,2,4-9,11-15H2,1,3H3,(H,21,23).
What are the key properties of 3-cyclohexyl-1-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]-1-propylurea?
3-cyclohexyl-1-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]-1-propylurea has a molecular weight of 318.51 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]-1-propylurea is sourced from PubChem (CID 134088576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).