1-[(1-hydroxycyclohexyl)methyl]-3-(2-methyl-3-pyrrolidin-1-ylphenyl)urea

C19H29N3O2 — CID 72914253

IUPAC1-[(1-hydroxycyclohexyl)methyl]-3-(2-methyl-3-pyrrolidin-1-ylphenyl)urea
SMILESCc1c(NC(=O)NCC2(O)CCCCC2)cccc1N1CCCC1
InChIInChI=1S/C19H29N3O2/c1-15-16(8-7-9-17(15)22-12-5-6-13-22)21-18(23)20-14-19(24)10-3-2-4-11-19/h7-9,24H,2-6,10-14H2,1H3,(H2,20,21,23)
InChIKeyOTWLEZSGXQXXRH-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.41
Rot. Bonds4

About 1-[(1-hydroxycyclohexyl)methyl]-3-(2-methyl-3-pyrrolidin-1-ylphenyl)urea

1-[(1-hydroxycyclohexyl)methyl]-3-(2-methyl-3-pyrrolidin-1-ylphenyl)urea (PubChem CID 72914253) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-[(1-hydroxycyclohexyl)methyl]-3-(2-methyl-3-pyrrolidin-1-ylphenyl)urea.

Molecular Properties

Compound Name1-[(1-hydroxycyclohexyl)methyl]-3-(2-methyl-3-pyrrolidin-1-ylphenyl)urea
PubChem CID72914253
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name1-[(1-hydroxycyclohexyl)methyl]-3-(2-methyl-3-pyrrolidin-1-ylphenyl)urea
SMILESCc1c(NC(=O)NCC2(O)CCCCC2)cccc1N1CCCC1
InChIInChI=1S/C19H29N3O2/c1-15-16(8-7-9-17(15)22-12-5-6-13-22)21-18(23)20-14-19(24)10-3-2-4-11-19/h7-9,24H,2-6,10-14H2,1H3,(H2,20,21,23)
InChIKeyOTWLEZSGXQXXRH-UHFFFAOYSA-N
XLogP3.41
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-hydroxycyclopentyl)methyl]-3-[2-(4-methylpiperazin-1-yl)phenyl]urea
CID 110907910
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CID 111103751
1-[(1-hydroxycyclopentyl)methyl]-3-[(2-piperidin-1-ylphenyl)methyl]urea
CID 110013035
1-(3-fluoro-2-methylphenyl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111521389
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-pyrrolidin-1-ylphenyl)urea
CID 111572950
1-(3-chloro-2-methoxyphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103686
1-[2-(azepan-1-yl)phenyl]-3-propylurea
CID 47201899
1-(3-chloro-2-ethoxyphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103677
1-propyl-3-(2-pyrrolidin-1-ylphenyl)urea
CID 47107994
1-[(1-hydroxycyclohexyl)methyl]-3-[2-(2,2,2-trifluoroethyl)phenyl]urea
CID 111475461
1-(2,6-difluorophenyl)-3-[(1-hydroxycycloheptyl)methyl]urea
CID 111431036
1-(2-fluorophenyl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 115619728

Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxycyclohexyl)methyl]-3-(2-methyl-3-pyrrolidin-1-ylphenyl)urea?
The IUPAC name of 1-[(1-hydroxycyclohexyl)methyl]-3-(2-methyl-3-pyrrolidin-1-ylphenyl)urea (CID 72914253) is 1-[(1-hydroxycyclohexyl)methyl]-3-(2-methyl-3-pyrrolidin-1-ylphenyl)urea.
What is the SMILES notation for 1-[(1-hydroxycyclohexyl)methyl]-3-(2-methyl-3-pyrrolidin-1-ylphenyl)urea?
The canonical SMILES for 1-[(1-hydroxycyclohexyl)methyl]-3-(2-methyl-3-pyrrolidin-1-ylphenyl)urea is Cc1c(NC(=O)NCC2(O)CCCCC2)cccc1N1CCCC1.
What is the InChIKey of 1-[(1-hydroxycyclohexyl)methyl]-3-(2-methyl-3-pyrrolidin-1-ylphenyl)urea?
The InChIKey is OTWLEZSGXQXXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-15-16(8-7-9-17(15)22-12-5-6-13-22)21-18(23)20-14-19(24)10-3-2-4-11-19/h7-9,24H,2-6,10-14H2,1H3,(H2,20,21,23).
What are the key properties of 1-[(1-hydroxycyclohexyl)methyl]-3-(2-methyl-3-pyrrolidin-1-ylphenyl)urea?
1-[(1-hydroxycyclohexyl)methyl]-3-(2-methyl-3-pyrrolidin-1-ylphenyl)urea has a molecular weight of 331.46 g/mol, XLogP of 3.41, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxycyclohexyl)methyl]-3-(2-methyl-3-pyrrolidin-1-ylphenyl)urea is sourced from PubChem (CID 72914253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).