1-cyclohexyl-3-[2-(3-ethyl-7-methoxynaphthalen-1-yl)ethyl]urea

C22H30N2O2 — CID 23360949

IUPAC1-cyclohexyl-3-[2-(3-ethyl-7-methoxynaphthalen-1-yl)ethyl]urea
SMILESCCc1cc(CCNC(=O)NC2CCCCC2)c2cc(OC)ccc2c1
InChIInChI=1S/C22H30N2O2/c1-3-16-13-17-9-10-20(26-2)15-21(17)18(14-16)11-12-23-22(25)24-19-7-5-4-6-8-19/h9-10,13-15,19H,3-8,11-12H2,1-2H3,(H2,23,24,25)
InChIKeyJRGPQUJPELAXOG-UHFFFAOYSA-N
MW354.49 g/mol
LogP4.59
Rot. Bonds6

About 1-cyclohexyl-3-[2-(3-ethyl-7-methoxynaphthalen-1-yl)ethyl]urea

1-cyclohexyl-3-[2-(3-ethyl-7-methoxynaphthalen-1-yl)ethyl]urea (PubChem CID 23360949) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-(3-ethyl-7-methoxynaphthalen-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-(3-ethyl-7-methoxynaphthalen-1-yl)ethyl]urea
PubChem CID23360949
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name1-cyclohexyl-3-[2-(3-ethyl-7-methoxynaphthalen-1-yl)ethyl]urea
SMILESCCc1cc(CCNC(=O)NC2CCCCC2)c2cc(OC)ccc2c1
InChIInChI=1S/C22H30N2O2/c1-3-16-13-17-9-10-20(26-2)15-21(17)18(14-16)11-12-23-22(25)24-19-7-5-4-6-8-19/h9-10,13-15,19H,3-8,11-12H2,1-2H3,(H2,23,24,25)
InChIKeyJRGPQUJPELAXOG-UHFFFAOYSA-N
XLogP4.59
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3-ethyl-7-methoxynaphthalen-1-yl)ethyl]-3-propylurea
CID 23360827
1-[2-[3-(cyclopropanecarbonyl)-7-methoxynaphthalen-1-yl]ethyl]-3-propylurea
CID 23360854
1-cyclohexyl-3-[(4-methoxyphenyl)methyl]urea
CID 854988
N-[2-[3-(hydroxymethyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide
CID 25167837
1-cyclohexyl-3-[2-(5-fluoro-2-methoxyphenyl)ethyl]urea
CID 110775679
1-cyclohexyl-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea
CID 108891509
1-(3-hydroxycyclohexyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 71786236
1-cyclopentyl-3-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]urea
CID 110775953
(6-ethylnaphthalen-2-yl) N-cyclohexylcarbamate
CID 11098519
3-(cyclohexylcarbamoylamino)-N-[2-(3-methoxyphenoxy)ethyl]propanamide
CID 46413738
1-[2-(4-methoxyphenyl)ethyl]-3-(1-methylpiperidin-4-yl)urea
CID 11493037
N-cyclohexyl-3-[(5-methoxy-2-methylphenyl)carbamoylamino]propanamide
CID 72894420

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-(3-ethyl-7-methoxynaphthalen-1-yl)ethyl]urea?
The IUPAC name of 1-cyclohexyl-3-[2-(3-ethyl-7-methoxynaphthalen-1-yl)ethyl]urea (CID 23360949) is 1-cyclohexyl-3-[2-(3-ethyl-7-methoxynaphthalen-1-yl)ethyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[2-(3-ethyl-7-methoxynaphthalen-1-yl)ethyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[2-(3-ethyl-7-methoxynaphthalen-1-yl)ethyl]urea is CCc1cc(CCNC(=O)NC2CCCCC2)c2cc(OC)ccc2c1.
What is the InChIKey of 1-cyclohexyl-3-[2-(3-ethyl-7-methoxynaphthalen-1-yl)ethyl]urea?
The InChIKey is JRGPQUJPELAXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-3-16-13-17-9-10-20(26-2)15-21(17)18(14-16)11-12-23-22(25)24-19-7-5-4-6-8-19/h9-10,13-15,19H,3-8,11-12H2,1-2H3,(H2,23,24,25).
What are the key properties of 1-cyclohexyl-3-[2-(3-ethyl-7-methoxynaphthalen-1-yl)ethyl]urea?
1-cyclohexyl-3-[2-(3-ethyl-7-methoxynaphthalen-1-yl)ethyl]urea has a molecular weight of 354.49 g/mol, XLogP of 4.59, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-(3-ethyl-7-methoxynaphthalen-1-yl)ethyl]urea is sourced from PubChem (CID 23360949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).