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

C18H27N3O2 — CID 75372819

IUPAC1-[(1-benzylpyrrolidin-2-yl)methyl]-3-[(1-hydroxycyclobutyl)methyl]urea
SMILESO=C(NCC1CCCN1Cc1ccccc1)NCC1(O)CCC1
InChIInChI=1S/C18H27N3O2/c22-17(20-14-18(23)9-5-10-18)19-12-16-8-4-11-21(16)13-15-6-2-1-3-7-15/h1-3,6-7,16,23H,4-5,8-14H2,(H2,19,20,22)
InChIKeyAYFLMKYSJTVFPF-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.87
Rot. Bonds6

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

1-[(1-benzylpyrrolidin-2-yl)methyl]-3-[(1-hydroxycyclobutyl)methyl]urea (PubChem CID 75372819) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 1-[(1-benzylpyrrolidin-2-yl)methyl]-3-[(1-hydroxycyclobutyl)methyl]urea.

Molecular Properties

Compound Name1-[(1-benzylpyrrolidin-2-yl)methyl]-3-[(1-hydroxycyclobutyl)methyl]urea
PubChem CID75372819
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name1-[(1-benzylpyrrolidin-2-yl)methyl]-3-[(1-hydroxycyclobutyl)methyl]urea
SMILESO=C(NCC1CCCN1Cc1ccccc1)NCC1(O)CCC1
InChIInChI=1S/C18H27N3O2/c22-17(20-14-18(23)9-5-10-18)19-12-16-8-4-11-21(16)13-15-6-2-1-3-7-15/h1-3,6-7,16,23H,4-5,8-14H2,(H2,19,20,22)
InChIKeyAYFLMKYSJTVFPF-UHFFFAOYSA-N
XLogP1.87
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzylpyrrolidin-2-yl)methyl]-3-[(1-hydroxycyclobutyl)methyl]urea?
The IUPAC name of 1-[(1-benzylpyrrolidin-2-yl)methyl]-3-[(1-hydroxycyclobutyl)methyl]urea (CID 75372819) is 1-[(1-benzylpyrrolidin-2-yl)methyl]-3-[(1-hydroxycyclobutyl)methyl]urea.
What is the SMILES notation for 1-[(1-benzylpyrrolidin-2-yl)methyl]-3-[(1-hydroxycyclobutyl)methyl]urea?
The canonical SMILES for 1-[(1-benzylpyrrolidin-2-yl)methyl]-3-[(1-hydroxycyclobutyl)methyl]urea is O=C(NCC1CCCN1Cc1ccccc1)NCC1(O)CCC1.
What is the InChIKey of 1-[(1-benzylpyrrolidin-2-yl)methyl]-3-[(1-hydroxycyclobutyl)methyl]urea?
The InChIKey is AYFLMKYSJTVFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c22-17(20-14-18(23)9-5-10-18)19-12-16-8-4-11-21(16)13-15-6-2-1-3-7-15/h1-3,6-7,16,23H,4-5,8-14H2,(H2,19,20,22).
What are the key properties of 1-[(1-benzylpyrrolidin-2-yl)methyl]-3-[(1-hydroxycyclobutyl)methyl]urea?
1-[(1-benzylpyrrolidin-2-yl)methyl]-3-[(1-hydroxycyclobutyl)methyl]urea has a molecular weight of 317.43 g/mol, XLogP of 1.87, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzylpyrrolidin-2-yl)methyl]-3-[(1-hydroxycyclobutyl)methyl]urea is sourced from PubChem (CID 75372819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).