1-cyclopentyl-3-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]urea

C19H31N3O3 — CID 60612121

IUPAC1-cyclopentyl-3-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]urea
SMILESCCN(CC)CCOc1cc(NC(=O)NC2CCCC2)ccc1OC
InChIInChI=1S/C19H31N3O3/c1-4-22(5-2)12-13-25-18-14-16(10-11-17(18)24-3)21-19(23)20-15-8-6-7-9-15/h10-11,14-15H,4-9,12-13H2,1-3H3,(H2,20,21,23)
InChIKeyYCGOGSCASWVLEP-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.48
Rot. Bonds9

About 1-cyclopentyl-3-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]urea

1-cyclopentyl-3-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]urea (PubChem CID 60612121) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is 1-cyclopentyl-3-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]urea
PubChem CID60612121
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC Name1-cyclopentyl-3-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]urea
SMILESCCN(CC)CCOc1cc(NC(=O)NC2CCCC2)ccc1OC
InChIInChI=1S/C19H31N3O3/c1-4-22(5-2)12-13-25-18-14-16(10-11-17(18)24-3)21-19(23)20-15-8-6-7-9-15/h10-11,14-15H,4-9,12-13H2,1-3H3,(H2,20,21,23)
InChIKeyYCGOGSCASWVLEP-UHFFFAOYSA-N
XLogP3.48
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]piperidine-4-carboxamide
CID 119865015
N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]piperidine-4-carboxamide;dihydrochloride
CID 119865014
1-cycloheptyl-3-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]urea
CID 112825817
N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-2-(methylamino)acetamide
CID 119865025
(2S,4S)-N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-2-methylpiperidine-4-carboxamide
CID 120645414
1-cyclohexyl-3-[3-(difluoromethoxy)-4-methoxyphenyl]urea
CID 134039305
1-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 60612179
N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]morpholine-2-carboxamide;dihydrochloride
CID 119865052
(2S)-2-amino-N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119865034
1-cyclobutyl-3-(4-methoxy-3-methylphenyl)urea
CID 115617939
N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]thiophene-2-carboxamide
CID 22459278
N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-4-phenylbenzamide
CID 56988348

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]urea?
The IUPAC name of 1-cyclopentyl-3-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]urea (CID 60612121) is 1-cyclopentyl-3-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]urea?
The canonical SMILES for 1-cyclopentyl-3-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]urea is CCN(CC)CCOc1cc(NC(=O)NC2CCCC2)ccc1OC.
What is the InChIKey of 1-cyclopentyl-3-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]urea?
The InChIKey is YCGOGSCASWVLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-4-22(5-2)12-13-25-18-14-16(10-11-17(18)24-3)21-19(23)20-15-8-6-7-9-15/h10-11,14-15H,4-9,12-13H2,1-3H3,(H2,20,21,23).
What are the key properties of 1-cyclopentyl-3-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]urea?
1-cyclopentyl-3-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]urea has a molecular weight of 349.48 g/mol, XLogP of 3.48, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]urea is sourced from PubChem (CID 60612121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).