3-[[(2R)-2-(hydroxymethyl)-2-(2-methylpropyl)pyrrolidin-1-yl]methyl]benzamide

C17H26N2O2 — CID 124852603

IUPAC3-[[(2R)-2-(hydroxymethyl)-2-(2-methylpropyl)pyrrolidin-1-yl]methyl]benzamide
SMILESCC(C)C[C@@]1(CO)CCCN1Cc1cccc(C(N)=O)c1
InChIInChI=1S/C17H26N2O2/c1-13(2)10-17(12-20)7-4-8-19(17)11-14-5-3-6-15(9-14)16(18)21/h3,5-6,9,13,20H,4,7-8,10-12H2,1-2H3,(H2,18,21)/t17-/m1/s1
InChIKeyVEZHMPWDEPTJAS-QGZVFWFLSA-N
MW290.41 g/mol
LogP2.16
Rot. Bonds6

About 3-[[(2R)-2-(hydroxymethyl)-2-(2-methylpropyl)pyrrolidin-1-yl]methyl]benzamide

3-[[(2R)-2-(hydroxymethyl)-2-(2-methylpropyl)pyrrolidin-1-yl]methyl]benzamide (PubChem CID 124852603) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-[[(2R)-2-(hydroxymethyl)-2-(2-methylpropyl)pyrrolidin-1-yl]methyl]benzamide.

Molecular Properties

Compound Name3-[[(2R)-2-(hydroxymethyl)-2-(2-methylpropyl)pyrrolidin-1-yl]methyl]benzamide
PubChem CID124852603
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-[[(2R)-2-(hydroxymethyl)-2-(2-methylpropyl)pyrrolidin-1-yl]methyl]benzamide
SMILESCC(C)C[C@@]1(CO)CCCN1Cc1cccc(C(N)=O)c1
InChIInChI=1S/C17H26N2O2/c1-13(2)10-17(12-20)7-4-8-19(17)11-14-5-3-6-15(9-14)16(18)21/h3,5-6,9,13,20H,4,7-8,10-12H2,1-2H3,(H2,18,21)/t17-/m1/s1
InChIKeyVEZHMPWDEPTJAS-QGZVFWFLSA-N
XLogP2.16
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,2-dimethylpyrrolidin-1-yl)methyl]benzoic acid
CID 63219968
3-(5-azaspiro[3.4]octan-5-ylmethyl)benzoic acid
CID 122033555
3-[(2,2-dimethylpyrrolidin-1-yl)methyl]benzohydrazide
CID 55214615
3-(2-methylpropyl)benzamide
CID 23130390
3-[(2-ethoxycarbonyl-2-propylpyrrolidin-1-yl)methyl]benzoic acid
CID 122033557
3-[[2-(1-aminoethyl)piperidin-1-yl]methyl]benzamide;hydrochloride
CID 119911778
3-[[3-(1-aminoethyl)piperidin-1-yl]methyl]benzamide;hydrochloride
CID 119925700
3-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]benzamide
CID 103743332
3-[[4-(2-methylpropyl)piperazin-1-yl]methyl]benzoic acid
CID 62777259
3-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]benzamide
CID 115358989
3-[[(2S)-2-[(1R,2S)-2-hydroxy-2-methylcyclohexyl]pyrrolidin-1-yl]methyl]benzamide
CID 129483827
(1,2-dibenzylazocan-2-yl)methanol
CID 102289051

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-2-(hydroxymethyl)-2-(2-methylpropyl)pyrrolidin-1-yl]methyl]benzamide?
The IUPAC name of 3-[[(2R)-2-(hydroxymethyl)-2-(2-methylpropyl)pyrrolidin-1-yl]methyl]benzamide (CID 124852603) is 3-[[(2R)-2-(hydroxymethyl)-2-(2-methylpropyl)pyrrolidin-1-yl]methyl]benzamide.
What is the SMILES notation for 3-[[(2R)-2-(hydroxymethyl)-2-(2-methylpropyl)pyrrolidin-1-yl]methyl]benzamide?
The canonical SMILES for 3-[[(2R)-2-(hydroxymethyl)-2-(2-methylpropyl)pyrrolidin-1-yl]methyl]benzamide is CC(C)C[C@@]1(CO)CCCN1Cc1cccc(C(N)=O)c1.
What is the InChIKey of 3-[[(2R)-2-(hydroxymethyl)-2-(2-methylpropyl)pyrrolidin-1-yl]methyl]benzamide?
The InChIKey is VEZHMPWDEPTJAS-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13(2)10-17(12-20)7-4-8-19(17)11-14-5-3-6-15(9-14)16(18)21/h3,5-6,9,13,20H,4,7-8,10-12H2,1-2H3,(H2,18,21)/t17-/m1/s1.
What are the key properties of 3-[[(2R)-2-(hydroxymethyl)-2-(2-methylpropyl)pyrrolidin-1-yl]methyl]benzamide?
3-[[(2R)-2-(hydroxymethyl)-2-(2-methylpropyl)pyrrolidin-1-yl]methyl]benzamide has a molecular weight of 290.41 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-2-(hydroxymethyl)-2-(2-methylpropyl)pyrrolidin-1-yl]methyl]benzamide is sourced from PubChem (CID 124852603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).