1-[(1-hydroxycyclobutyl)methyl]-3-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea

C19H29N3O2 — CID 75372817

IUPAC1-[(1-hydroxycyclobutyl)methyl]-3-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea
SMILESO=C(NCC1CCN(CCc2ccccc2)C1)NCC1(O)CCC1
InChIInChI=1S/C19H29N3O2/c23-18(21-15-19(24)9-4-10-19)20-13-17-8-12-22(14-17)11-7-16-5-2-1-3-6-16/h1-3,5-6,17,24H,4,7-15H2,(H2,20,21,23)
InChIKeyIRCYEBSVZCVVPG-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.77
Rot. Bonds7

About 1-[(1-hydroxycyclobutyl)methyl]-3-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea

1-[(1-hydroxycyclobutyl)methyl]-3-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea (PubChem CID 75372817) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-[(1-hydroxycyclobutyl)methyl]-3-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea.

Molecular Properties

Compound Name1-[(1-hydroxycyclobutyl)methyl]-3-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea
PubChem CID75372817
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name1-[(1-hydroxycyclobutyl)methyl]-3-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea
SMILESO=C(NCC1CCN(CCc2ccccc2)C1)NCC1(O)CCC1
InChIInChI=1S/C19H29N3O2/c23-18(21-15-19(24)9-4-10-19)20-13-17-8-12-22(14-17)11-7-16-5-2-1-3-6-16/h1-3,5-6,17,24H,4,7-15H2,(H2,20,21,23)
InChIKeyIRCYEBSVZCVVPG-UHFFFAOYSA-N
XLogP1.77
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(1-hydroxycyclobutyl)methyl]-3-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea with MolForge

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Related Compounds

1-[(1-Benzylpyrrolidin-2-yl)methyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 75372819
1-[(1-Hydroxycyclobutyl)methyl]-3-[[1-(2-phenylethyl)pyrrolidin-2-yl]methyl]urea
CID 75377208
1-((1-Hydroxycyclopentyl)methyl)-3-(3-phenylpropyl)urea
CID 49718222
(3R*,4R*)-N-[2-(2-fluorophenyl)ethyl]-3-hydroxy-3,4-dimethyl-1-pyrrolidinecarboxamide
CID 72841194
1-[(1S)-1-cyclopropyl-2-phenylethyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 97215345
(3S,4S)-3-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]-3-hydroxy-4-methylpyrrolidine-1-carboxamide
CID 164634327
8-(3-Fluorophenyl)-1-[(1-hydroxycyclobutyl)methyl]-1,3-diazaspiro[4.5]decan-2-one
CID 146416563
1-Benzyl-5-hydroxy-5-(pent-4-en-1-yl) imidazolidin-2-one
CID 13440346
3-hydroxy-N-(1-phenylbutan-2-yl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 71864357
(3R*,4R*)-3-cyclobutyl-N-(3-fluorobenzyl)-3-hydroxy-4-methyl-1-pyrrolidinecarboxamide
CID 72841478
(3R*,4R*)-3-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]-3-hydroxy-4-methyl-1-pyrrolidinecarboxamide
CID 72850758
(3R*,4R*)-3-cyclobutyl-N-(4-fluorobenzyl)-3-hydroxy-4-methyl-1-pyrrolidinecarboxamide
CID 72857112

Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxycyclobutyl)methyl]-3-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea?
The IUPAC name of 1-[(1-hydroxycyclobutyl)methyl]-3-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea (CID 75372817) is 1-[(1-hydroxycyclobutyl)methyl]-3-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea.
What is the SMILES notation for 1-[(1-hydroxycyclobutyl)methyl]-3-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea?
The canonical SMILES for 1-[(1-hydroxycyclobutyl)methyl]-3-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea is O=C(NCC1CCN(CCc2ccccc2)C1)NCC1(O)CCC1.
What is the InChIKey of 1-[(1-hydroxycyclobutyl)methyl]-3-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea?
The InChIKey is IRCYEBSVZCVVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c23-18(21-15-19(24)9-4-10-19)20-13-17-8-12-22(14-17)11-7-16-5-2-1-3-6-16/h1-3,5-6,17,24H,4,7-15H2,(H2,20,21,23).
What are the key properties of 1-[(1-hydroxycyclobutyl)methyl]-3-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea?
1-[(1-hydroxycyclobutyl)methyl]-3-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea has a molecular weight of 331.46 g/mol, XLogP of 1.77, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxycyclobutyl)methyl]-3-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea is sourced from PubChem (CID 75372817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).