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

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Related Compounds

1-(benzylcarbamoylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 120944373
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide;hydrochloride
CID 120945888
1-benzyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 120946487
1-benzyl-N-[[2-(methanesulfonamido)cyclohexyl]methyl]cyclopropane-1-carboxamide
CID 126801738
1-benzyl-N-(3-methylpiperidin-4-yl)cyclobutane-1-carboxamide
CID 120557779
2-(dibenzylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;dihydrochloride
CID 120948938
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(2-phenylacetyl)amino]propanamide;hydrochloride
CID 120944089
1-(3-fluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide;hydrochloride
CID 120943827
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methyl-2-phenylbutanamide
CID 120948957
1-benzyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-2-carboxamide
CID 120947149
1-benzyl-N-[(2S)-2-hydroxy-2-(oxan-4-yl)ethyl]cyclobutane-1-carboxamide
CID 97224093
2-(4-benzylpiperazin-1-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;dihydrochloride
CID 120946032

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).