1-(4-hydroxycyclohexyl)-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea

C19H29N3O2 — CID 110892520

IUPAC1-(4-hydroxycyclohexyl)-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea
SMILESO=C(NCC(c1ccccc1)N1CCCC1)NC1CCC(O)CC1
InChIInChI=1S/C19H29N3O2/c23-17-10-8-16(9-11-17)21-19(24)20-14-18(22-12-4-5-13-22)15-6-2-1-3-7-15/h1-3,6-7,16-18,23H,4-5,8-14H2,(H2,20,21,24)
InChIKeyPIKPLRSNZXLVIM-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.43
Rot. Bonds5

About 1-(4-hydroxycyclohexyl)-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea

1-(4-hydroxycyclohexyl)-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea (PubChem CID 110892520) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-(4-hydroxycyclohexyl)-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea.

Molecular Properties

Compound Name1-(4-hydroxycyclohexyl)-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea
PubChem CID110892520
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name1-(4-hydroxycyclohexyl)-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea
SMILESO=C(NCC(c1ccccc1)N1CCCC1)NC1CCC(O)CC1
InChIInChI=1S/C19H29N3O2/c23-17-10-8-16(9-11-17)21-19(24)20-14-18(22-12-4-5-13-22)15-6-2-1-3-7-15/h1-3,6-7,16-18,23H,4-5,8-14H2,(H2,20,21,24)
InChIKeyPIKPLRSNZXLVIM-UHFFFAOYSA-N
XLogP2.43
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-3-(2,2-diphenylethyl)urea
CID 38287341
1-cyclopropyl-3-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]urea
CID 51710229
1-[2-(azepan-1-yl)-3-methylbutyl]-3-(4-hydroxycyclohexyl)urea
CID 110894656
1-[2-(4-ethoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(oxan-4-yl)urea
CID 110621713
1-[(1-hydroxycyclobutyl)methyl]-3-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]urea
CID 97215316
2,2-difluoro-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 103514779
N-[(2R)-2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-4-hydroxycyclohexane-1-carboxamide
CID 124756832
1-cyclobutyl-1-methyl-3-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]urea
CID 95907758
1-(2-hydroxypentyl)-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea
CID 111337736
1-(4-hydroxycyclohexyl)-3-[2-hydroxy-2-(3-phenoxyphenyl)ethyl]urea
CID 119061128
2-amino-2-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 119831373
1-[(4-methylphenyl)methyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea
CID 46555638

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxycyclohexyl)-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea?
The IUPAC name of 1-(4-hydroxycyclohexyl)-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea (CID 110892520) is 1-(4-hydroxycyclohexyl)-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea.
What is the SMILES notation for 1-(4-hydroxycyclohexyl)-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea?
The canonical SMILES for 1-(4-hydroxycyclohexyl)-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea is O=C(NCC(c1ccccc1)N1CCCC1)NC1CCC(O)CC1.
What is the InChIKey of 1-(4-hydroxycyclohexyl)-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea?
The InChIKey is PIKPLRSNZXLVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c23-17-10-8-16(9-11-17)21-19(24)20-14-18(22-12-4-5-13-22)15-6-2-1-3-7-15/h1-3,6-7,16-18,23H,4-5,8-14H2,(H2,20,21,24).
What are the key properties of 1-(4-hydroxycyclohexyl)-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea?
1-(4-hydroxycyclohexyl)-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea has a molecular weight of 331.46 g/mol, XLogP of 2.43, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxycyclohexyl)-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea is sourced from PubChem (CID 110892520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).