1-cyclohexyl-3-[2-(ethoxymethyl)-2-methylchromen-6-yl]urea

C20H28N2O3 — CID 46182122

IUPAC1-cyclohexyl-3-[2-(ethoxymethyl)-2-methylchromen-6-yl]urea
SMILESCCOCC1(C)C=Cc2cc(NC(=O)NC3CCCCC3)ccc2O1
InChIInChI=1S/C20H28N2O3/c1-3-24-14-20(2)12-11-15-13-17(9-10-18(15)25-20)22-19(23)21-16-7-5-4-6-8-16/h9-13,16H,3-8,14H2,1-2H3,(H2,21,22,23)
InChIKeyJVRJOIQOUBZCRY-UHFFFAOYSA-N
MW344.46 g/mol
LogP4.34
Rot. Bonds5

About 1-cyclohexyl-3-[2-(ethoxymethyl)-2-methylchromen-6-yl]urea

1-cyclohexyl-3-[2-(ethoxymethyl)-2-methylchromen-6-yl]urea (PubChem CID 46182122) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-(ethoxymethyl)-2-methylchromen-6-yl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-(ethoxymethyl)-2-methylchromen-6-yl]urea
PubChem CID46182122
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Name1-cyclohexyl-3-[2-(ethoxymethyl)-2-methylchromen-6-yl]urea
SMILESCCOCC1(C)C=Cc2cc(NC(=O)NC3CCCCC3)ccc2O1
InChIInChI=1S/C20H28N2O3/c1-3-24-14-20(2)12-11-15-13-17(9-10-18(15)25-20)22-19(23)21-16-7-5-4-6-8-16/h9-13,16H,3-8,14H2,1-2H3,(H2,21,22,23)
InChIKeyJVRJOIQOUBZCRY-UHFFFAOYSA-N
XLogP4.34
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-3-[2-[(4-methoxyphenyl)methoxymethyl]-2-methylchromen-6-yl]urea
CID 46182294
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CID 47033628
1-[2-(hydroxymethyl)-2-methylchromen-6-yl]-3-(5-methyl-2-pyridinyl)urea
CID 142698908
1-cyclopentyl-3-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)urea
CID 110774624
1-cyclopentyl-3-(3-ethoxyphenyl)urea
CID 47264657
1-[2-(hydroxymethyl)-2-methylchromen-6-yl]-3-pyridin-3-ylurea
CID 142698899
1-cyclohexyl-3-(2,3-dihydro-1H-inden-5-yl)urea
CID 3271031
1-cycloheptyl-3-(2,3-dihydro-1H-inden-5-yl)urea
CID 47132834
ethyl 3-(cyclobutylcarbamoylamino)benzoate
CID 3737149
1-cyclopropyl-3-(4-ethoxyphenyl)urea
CID 17264486
ethyl 3-[4-(cyclohexylcarbamoylamino)phenyl]-1,2-oxazole-5-carboxylate
CID 67354653
3-amino-N-[5-(cyclohexylcarbamoylamino)-2-methoxyphenyl]propanamide
CID 82034660

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-(ethoxymethyl)-2-methylchromen-6-yl]urea?
The IUPAC name of 1-cyclohexyl-3-[2-(ethoxymethyl)-2-methylchromen-6-yl]urea (CID 46182122) is 1-cyclohexyl-3-[2-(ethoxymethyl)-2-methylchromen-6-yl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[2-(ethoxymethyl)-2-methylchromen-6-yl]urea?
The canonical SMILES for 1-cyclohexyl-3-[2-(ethoxymethyl)-2-methylchromen-6-yl]urea is CCOCC1(C)C=Cc2cc(NC(=O)NC3CCCCC3)ccc2O1.
What is the InChIKey of 1-cyclohexyl-3-[2-(ethoxymethyl)-2-methylchromen-6-yl]urea?
The InChIKey is JVRJOIQOUBZCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-3-24-14-20(2)12-11-15-13-17(9-10-18(15)25-20)22-19(23)21-16-7-5-4-6-8-16/h9-13,16H,3-8,14H2,1-2H3,(H2,21,22,23).
What are the key properties of 1-cyclohexyl-3-[2-(ethoxymethyl)-2-methylchromen-6-yl]urea?
1-cyclohexyl-3-[2-(ethoxymethyl)-2-methylchromen-6-yl]urea has a molecular weight of 344.46 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-(ethoxymethyl)-2-methylchromen-6-yl]urea is sourced from PubChem (CID 46182122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).