1-cyclohexyl-1-methyl-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea

C20H30N2O — CID 19168372

IUPAC1-cyclohexyl-1-methyl-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
SMILESC=C(C)c1cccc(C(C)(C)NC(=O)N(C)C2CCCCC2)c1
InChIInChI=1S/C20H30N2O/c1-15(2)16-10-9-11-17(14-16)20(3,4)21-19(23)22(5)18-12-7-6-8-13-18/h9-11,14,18H,1,6-8,12-13H2,2-5H3,(H,21,23)
InChIKeyINTMIVFMGYPQTN-UHFFFAOYSA-N
MW314.47 g/mol
LogP4.93
Rot. Bonds4

About 1-cyclohexyl-1-methyl-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea

1-cyclohexyl-1-methyl-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea (PubChem CID 19168372) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is 1-cyclohexyl-1-methyl-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea.

Molecular Properties

Compound Name1-cyclohexyl-1-methyl-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
PubChem CID19168372
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC Name1-cyclohexyl-1-methyl-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
SMILESC=C(C)c1cccc(C(C)(C)NC(=O)N(C)C2CCCCC2)c1
InChIInChI=1S/C20H30N2O/c1-15(2)16-10-9-11-17(14-16)20(3,4)21-19(23)22(5)18-12-7-6-8-13-18/h9-11,14,18H,1,6-8,12-13H2,2-5H3,(H,21,23)
InChIKeyINTMIVFMGYPQTN-UHFFFAOYSA-N
XLogP4.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-cycloheptyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide
CID 3857182
3-methyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1-carboxamide
CID 2892125
cyclopropylmethyl N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate
CID 22966825
(3-hydroxycyclohexyl)methyl N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate
CID 89309898
1-(4-tert-butylphenyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
CID 71462576
2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxymethyl N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate
CID 22967201
(1R,5S)-1,3,3-trimethyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-6-azabicyclo[3.2.1]octane-6-carboxamide
CID 2327057
1-methyl-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-1-[(2,3,4-trimethoxyphenyl)methyl]urea
CID 4854199
4-benzoyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide
CID 110364709
1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1-methyl-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
CID 110290964
4-hydroxy-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 110636838
3-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoylamino]benzamide
CID 89031587

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-methyl-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea?
The IUPAC name of 1-cyclohexyl-1-methyl-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea (CID 19168372) is 1-cyclohexyl-1-methyl-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea.
What is the SMILES notation for 1-cyclohexyl-1-methyl-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea?
The canonical SMILES for 1-cyclohexyl-1-methyl-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea is C=C(C)c1cccc(C(C)(C)NC(=O)N(C)C2CCCCC2)c1.
What is the InChIKey of 1-cyclohexyl-1-methyl-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea?
The InChIKey is INTMIVFMGYPQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O/c1-15(2)16-10-9-11-17(14-16)20(3,4)21-19(23)22(5)18-12-7-6-8-13-18/h9-11,14,18H,1,6-8,12-13H2,2-5H3,(H,21,23).
What are the key properties of 1-cyclohexyl-1-methyl-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea?
1-cyclohexyl-1-methyl-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea has a molecular weight of 314.47 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-methyl-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea is sourced from PubChem (CID 19168372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).