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

C19H29N3O2 — CID 75377208

IUPAC1-[(1-hydroxycyclobutyl)methyl]-3-[[1-(2-phenylethyl)pyrrolidin-2-yl]methyl]urea
SMILESO=C(NCC1CCCN1CCc1ccccc1)NCC1(O)CCC1
InChIInChI=1S/C19H29N3O2/c23-18(21-15-19(24)10-5-11-19)20-14-17-8-4-12-22(17)13-9-16-6-2-1-3-7-16/h1-3,6-7,17,24H,4-5,8-15H2,(H2,20,21,23)
InChIKeyLOTOHGHRJVECSV-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.91
Rot. Bonds7

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

1-[(1-hydroxycyclobutyl)methyl]-3-[[1-(2-phenylethyl)pyrrolidin-2-yl]methyl]urea (PubChem CID 75377208) 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-2-yl]methyl]urea.

Molecular Properties

Compound Name1-[(1-hydroxycyclobutyl)methyl]-3-[[1-(2-phenylethyl)pyrrolidin-2-yl]methyl]urea
PubChem CID75377208
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name1-[(1-hydroxycyclobutyl)methyl]-3-[[1-(2-phenylethyl)pyrrolidin-2-yl]methyl]urea
SMILESO=C(NCC1CCCN1CCc1ccccc1)NCC1(O)CCC1
InChIInChI=1S/C19H29N3O2/c23-18(21-15-19(24)10-5-11-19)20-14-17-8-4-12-22(17)13-9-16-6-2-1-3-7-16/h1-3,6-7,17,24H,4-5,8-15H2,(H2,20,21,23)
InChIKeyLOTOHGHRJVECSV-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxycyclobutyl)methyl]-3-[[1-(2-phenylethyl)pyrrolidin-2-yl]methyl]urea?
The IUPAC name of 1-[(1-hydroxycyclobutyl)methyl]-3-[[1-(2-phenylethyl)pyrrolidin-2-yl]methyl]urea (CID 75377208) is 1-[(1-hydroxycyclobutyl)methyl]-3-[[1-(2-phenylethyl)pyrrolidin-2-yl]methyl]urea.
What is the SMILES notation for 1-[(1-hydroxycyclobutyl)methyl]-3-[[1-(2-phenylethyl)pyrrolidin-2-yl]methyl]urea?
The canonical SMILES for 1-[(1-hydroxycyclobutyl)methyl]-3-[[1-(2-phenylethyl)pyrrolidin-2-yl]methyl]urea is O=C(NCC1CCCN1CCc1ccccc1)NCC1(O)CCC1.
What is the InChIKey of 1-[(1-hydroxycyclobutyl)methyl]-3-[[1-(2-phenylethyl)pyrrolidin-2-yl]methyl]urea?
The InChIKey is LOTOHGHRJVECSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c23-18(21-15-19(24)10-5-11-19)20-14-17-8-4-12-22(17)13-9-16-6-2-1-3-7-16/h1-3,6-7,17,24H,4-5,8-15H2,(H2,20,21,23).
What are the key properties of 1-[(1-hydroxycyclobutyl)methyl]-3-[[1-(2-phenylethyl)pyrrolidin-2-yl]methyl]urea?
1-[(1-hydroxycyclobutyl)methyl]-3-[[1-(2-phenylethyl)pyrrolidin-2-yl]methyl]urea has a molecular weight of 331.46 g/mol, XLogP of 1.91, 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-2-yl]methyl]urea is sourced from PubChem (CID 75377208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).