1-[(1-benzyl-3-hydroxypyrrolidin-3-yl)methyl]-3-[furan-3-yl(phenyl)methyl]urea

C24H27N3O3 — CID 167874326

IUPAC1-[(1-benzyl-3-hydroxypyrrolidin-3-yl)methyl]-3-[furan-3-yl(phenyl)methyl]urea
SMILESO=C(NCC1(O)CCN(Cc2ccccc2)C1)NC(c1ccccc1)c1ccoc1
InChIInChI=1S/C24H27N3O3/c28-23(26-22(21-11-14-30-16-21)20-9-5-2-6-10-20)25-17-24(29)12-13-27(18-24)15-19-7-3-1-4-8-19/h1-11,14,16,22,29H,12-13,15,17-18H2,(H2,25,26,28)
InChIKeyKJCHWNZSXQGCKG-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.31
Rot. Bonds7

About 1-[(1-benzyl-3-hydroxypyrrolidin-3-yl)methyl]-3-[furan-3-yl(phenyl)methyl]urea

1-[(1-benzyl-3-hydroxypyrrolidin-3-yl)methyl]-3-[furan-3-yl(phenyl)methyl]urea (PubChem CID 167874326) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 1-[(1-benzyl-3-hydroxypyrrolidin-3-yl)methyl]-3-[furan-3-yl(phenyl)methyl]urea.

Molecular Properties

Compound Name1-[(1-benzyl-3-hydroxypyrrolidin-3-yl)methyl]-3-[furan-3-yl(phenyl)methyl]urea
PubChem CID167874326
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name1-[(1-benzyl-3-hydroxypyrrolidin-3-yl)methyl]-3-[furan-3-yl(phenyl)methyl]urea
SMILESO=C(NCC1(O)CCN(Cc2ccccc2)C1)NC(c1ccccc1)c1ccoc1
InChIInChI=1S/C24H27N3O3/c28-23(26-22(21-11-14-30-16-21)20-9-5-2-6-10-20)25-17-24(29)12-13-27(18-24)15-19-7-3-1-4-8-19/h1-11,14,16,22,29H,12-13,15,17-18H2,(H2,25,26,28)
InChIKeyKJCHWNZSXQGCKG-UHFFFAOYSA-N
XLogP3.31
TPSA77.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzyl-3-hydroxypyrrolidin-3-yl)methyl]-3-[furan-3-yl(phenyl)methyl]urea?
The IUPAC name of 1-[(1-benzyl-3-hydroxypyrrolidin-3-yl)methyl]-3-[furan-3-yl(phenyl)methyl]urea (CID 167874326) is 1-[(1-benzyl-3-hydroxypyrrolidin-3-yl)methyl]-3-[furan-3-yl(phenyl)methyl]urea.
What is the SMILES notation for 1-[(1-benzyl-3-hydroxypyrrolidin-3-yl)methyl]-3-[furan-3-yl(phenyl)methyl]urea?
The canonical SMILES for 1-[(1-benzyl-3-hydroxypyrrolidin-3-yl)methyl]-3-[furan-3-yl(phenyl)methyl]urea is O=C(NCC1(O)CCN(Cc2ccccc2)C1)NC(c1ccccc1)c1ccoc1.
What is the InChIKey of 1-[(1-benzyl-3-hydroxypyrrolidin-3-yl)methyl]-3-[furan-3-yl(phenyl)methyl]urea?
The InChIKey is KJCHWNZSXQGCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c28-23(26-22(21-11-14-30-16-21)20-9-5-2-6-10-20)25-17-24(29)12-13-27(18-24)15-19-7-3-1-4-8-19/h1-11,14,16,22,29H,12-13,15,17-18H2,(H2,25,26,28).
What are the key properties of 1-[(1-benzyl-3-hydroxypyrrolidin-3-yl)methyl]-3-[furan-3-yl(phenyl)methyl]urea?
1-[(1-benzyl-3-hydroxypyrrolidin-3-yl)methyl]-3-[furan-3-yl(phenyl)methyl]urea has a molecular weight of 405.50 g/mol, XLogP of 3.31, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzyl-3-hydroxypyrrolidin-3-yl)methyl]-3-[furan-3-yl(phenyl)methyl]urea is sourced from PubChem (CID 167874326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).