1-cyclohexyl-3-(3,5-dimethoxyphenyl)-1-prop-2-enylurea

C18H26N2O3 — CID 3597378

IUPAC1-cyclohexyl-3-(3,5-dimethoxyphenyl)-1-prop-2-enylurea
SMILESC=CCN(C(=O)Nc1cc(OC)cc(OC)c1)C1CCCCC1
InChIInChI=1S/C18H26N2O3/c1-4-10-20(15-8-6-5-7-9-15)18(21)19-14-11-16(22-2)13-17(12-14)23-3/h4,11-13,15H,1,5-10H2,2-3H3,(H,19,21)
InChIKeyKXYNMEUVZNGFHN-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.06
Rot. Bonds6

About 1-cyclohexyl-3-(3,5-dimethoxyphenyl)-1-prop-2-enylurea

1-cyclohexyl-3-(3,5-dimethoxyphenyl)-1-prop-2-enylurea (PubChem CID 3597378) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-cyclohexyl-3-(3,5-dimethoxyphenyl)-1-prop-2-enylurea.

Molecular Properties

Compound Name1-cyclohexyl-3-(3,5-dimethoxyphenyl)-1-prop-2-enylurea
PubChem CID3597378
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name1-cyclohexyl-3-(3,5-dimethoxyphenyl)-1-prop-2-enylurea
SMILESC=CCN(C(=O)Nc1cc(OC)cc(OC)c1)C1CCCCC1
InChIInChI=1S/C18H26N2O3/c1-4-10-20(15-8-6-5-7-9-15)18(21)19-14-11-16(22-2)13-17(12-14)23-3/h4,11-13,15H,1,5-10H2,2-3H3,(H,19,21)
InChIKeyKXYNMEUVZNGFHN-UHFFFAOYSA-N
XLogP4.06
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexyl-3-[4-(dimethylamino)phenyl]-1-prop-2-enylurea
CID 3853475
2-[cycloheptyl(methyl)amino]-N-(3,5-dimethoxyphenyl)acetamide
CID 16577758
3-[4-chloro-3-(trifluoromethyl)phenyl]-1-cyclohexyl-1-prop-2-enylurea
CID 3790430
methyl 2-[[cyclopentyl(prop-2-enyl)carbamoyl]amino]benzoate
CID 23991843
1-cyclopropyl-3-(3,5-dimethoxyphenyl)-1-(pyridin-4-ylmethyl)urea
CID 51080116
3-(3,5-dimethoxyphenyl)-1-(1,1-dioxothiolan-3-yl)-1-ethylurea
CID 108869478
N-(3,5-dimethoxyphenyl)cyclopentanecarboxamide
CID 4812784
N-(3,5-dimethoxyphenyl)cyclobutanecarboxamide
CID 7772829
1-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(3,5-dimethoxyphenyl)-1-methylurea
CID 53055100
N-benzyl-2-[cyclohexyl-[(3,5-dimethoxyphenyl)carbamoyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 3339439
1-cyclohexyl-3-(2,3-dichlorophenyl)-1-prop-2-enylurea
CID 3833190
3-[cyclopentyl(prop-2-enyl)amino]-3-oxopropanoic acid
CID 62230761

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(3,5-dimethoxyphenyl)-1-prop-2-enylurea?
The IUPAC name of 1-cyclohexyl-3-(3,5-dimethoxyphenyl)-1-prop-2-enylurea (CID 3597378) is 1-cyclohexyl-3-(3,5-dimethoxyphenyl)-1-prop-2-enylurea.
What is the SMILES notation for 1-cyclohexyl-3-(3,5-dimethoxyphenyl)-1-prop-2-enylurea?
The canonical SMILES for 1-cyclohexyl-3-(3,5-dimethoxyphenyl)-1-prop-2-enylurea is C=CCN(C(=O)Nc1cc(OC)cc(OC)c1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(3,5-dimethoxyphenyl)-1-prop-2-enylurea?
The InChIKey is KXYNMEUVZNGFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-4-10-20(15-8-6-5-7-9-15)18(21)19-14-11-16(22-2)13-17(12-14)23-3/h4,11-13,15H,1,5-10H2,2-3H3,(H,19,21).
What are the key properties of 1-cyclohexyl-3-(3,5-dimethoxyphenyl)-1-prop-2-enylurea?
1-cyclohexyl-3-(3,5-dimethoxyphenyl)-1-prop-2-enylurea has a molecular weight of 318.42 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(3,5-dimethoxyphenyl)-1-prop-2-enylurea is sourced from PubChem (CID 3597378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).