1-benzyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide

C17H24N2O2 — CID 120947067

IUPAC1-benzyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide
SMILESO=C(NCC1CNCC1O)C1(Cc2ccccc2)CCC1
InChIInChI=1S/C17H24N2O2/c20-15-12-18-10-14(15)11-19-16(21)17(7-4-8-17)9-13-5-2-1-3-6-13/h1-3,5-6,14-15,18,20H,4,7-12H2,(H,19,21)
InChIKeyMVPRFQDEISKPQM-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.10
Rot. Bonds5

About 1-benzyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide

1-benzyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide (PubChem CID 120947067) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-benzyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide
PubChem CID120947067
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-benzyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide
SMILESO=C(NCC1CNCC1O)C1(Cc2ccccc2)CCC1
InChIInChI=1S/C17H24N2O2/c20-15-12-18-10-14(15)11-19-16(21)17(7-4-8-17)9-13-5-2-1-3-6-13/h1-3,5-6,14-15,18,20H,4,7-12H2,(H,19,21)
InChIKeyMVPRFQDEISKPQM-UHFFFAOYSA-N
XLogP1.10
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-benzyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide 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-benzyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-benzyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide (CID 120947067) is 1-benzyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-benzyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-benzyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide is O=C(NCC1CNCC1O)C1(Cc2ccccc2)CCC1.
What is the InChIKey of 1-benzyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide?
The InChIKey is MVPRFQDEISKPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c20-15-12-18-10-14(15)11-19-16(21)17(7-4-8-17)9-13-5-2-1-3-6-13/h1-3,5-6,14-15,18,20H,4,7-12H2,(H,19,21).
What are the key properties of 1-benzyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide?
1-benzyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 1.10, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 120947067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).