(2R)-N-[1-(hydroxymethyl)cyclopentyl]-2-phenylspiro[2.4]heptane-2-carboxamide

C20H27NO2 — CID 126423700

IUPAC(2R)-N-[1-(hydroxymethyl)cyclopentyl]-2-phenylspiro[2.4]heptane-2-carboxamide
SMILESO=C(NC1(CO)CCCC1)[C@]1(c2ccccc2)CC12CCCC2
InChIInChI=1S/C20H27NO2/c22-15-19(12-6-7-13-19)21-17(23)20(16-8-2-1-3-9-16)14-18(20)10-4-5-11-18/h1-3,8-9,22H,4-7,10-15H2,(H,21,23)/t20-/m1/s1
InChIKeyZNNDGSUITSPIPB-HXUWFJFHSA-N
MW313.44 g/mol
LogP3.31
Rot. Bonds4

About (2R)-N-[1-(hydroxymethyl)cyclopentyl]-2-phenylspiro[2.4]heptane-2-carboxamide

(2R)-N-[1-(hydroxymethyl)cyclopentyl]-2-phenylspiro[2.4]heptane-2-carboxamide (PubChem CID 126423700) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is (2R)-N-[1-(hydroxymethyl)cyclopentyl]-2-phenylspiro[2.4]heptane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[1-(hydroxymethyl)cyclopentyl]-2-phenylspiro[2.4]heptane-2-carboxamide
PubChem CID126423700
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC Name(2R)-N-[1-(hydroxymethyl)cyclopentyl]-2-phenylspiro[2.4]heptane-2-carboxamide
SMILESO=C(NC1(CO)CCCC1)[C@]1(c2ccccc2)CC12CCCC2
InChIInChI=1S/C20H27NO2/c22-15-19(12-6-7-13-19)21-17(23)20(16-8-2-1-3-9-16)14-18(20)10-4-5-11-18/h1-3,8-9,22H,4-7,10-15H2,(H,21,23)/t20-/m1/s1
InChIKeyZNNDGSUITSPIPB-HXUWFJFHSA-N
XLogP3.31
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(hydroxymethyl)cyclohexyl]-1-phenylcyclopropane-1-carboxamide
CID 62521476
(2R)-2-phenyl-N-(2-pyridin-4-ylethyl)spiro[2.4]heptane-2-carboxamide
CID 99970498
methyl 2-phenylspiro[2.3]hexane-2-carboxylate
CID 134589125
(2R)-2-phenyl-N-[2-(1H-pyrazol-5-yl)ethyl]spiro[2.4]heptane-2-carboxamide
CID 126443610
N-[1-(aminomethyl)cyclopentyl]-1-phenylcyclopropane-1-carboxamide
CID 63753599
(2R)-2-phenyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]spiro[2.4]heptane-2-carboxamide
CID 126433749
N'-[1-(hydroxymethyl)cyclopentyl]-N-phenyloxamide
CID 110008759
phenyl N-[1-(hydroxymethyl)cyclopentyl]carbamate
CID 62521229
N-[1-(chloromethyl)cyclohexyl]-1-phenylcyclopropane-1-carboxamide
CID 114303546
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-phenylspiro[2.4]heptane-2-carboxamide
CID 86286558
2-phenyl-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]spiro[2.4]heptane-2-carboxamide
CID 119066000
(3-hydroxyazetidin-1-yl)-[(2S)-2-phenylspiro[2.4]heptan-2-yl]methanone
CID 126449981

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[1-(hydroxymethyl)cyclopentyl]-2-phenylspiro[2.4]heptane-2-carboxamide?
The IUPAC name of (2R)-N-[1-(hydroxymethyl)cyclopentyl]-2-phenylspiro[2.4]heptane-2-carboxamide (CID 126423700) is (2R)-N-[1-(hydroxymethyl)cyclopentyl]-2-phenylspiro[2.4]heptane-2-carboxamide.
What is the SMILES notation for (2R)-N-[1-(hydroxymethyl)cyclopentyl]-2-phenylspiro[2.4]heptane-2-carboxamide?
The canonical SMILES for (2R)-N-[1-(hydroxymethyl)cyclopentyl]-2-phenylspiro[2.4]heptane-2-carboxamide is O=C(NC1(CO)CCCC1)[C@]1(c2ccccc2)CC12CCCC2.
What is the InChIKey of (2R)-N-[1-(hydroxymethyl)cyclopentyl]-2-phenylspiro[2.4]heptane-2-carboxamide?
The InChIKey is ZNNDGSUITSPIPB-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H27NO2/c22-15-19(12-6-7-13-19)21-17(23)20(16-8-2-1-3-9-16)14-18(20)10-4-5-11-18/h1-3,8-9,22H,4-7,10-15H2,(H,21,23)/t20-/m1/s1.
What are the key properties of (2R)-N-[1-(hydroxymethyl)cyclopentyl]-2-phenylspiro[2.4]heptane-2-carboxamide?
(2R)-N-[1-(hydroxymethyl)cyclopentyl]-2-phenylspiro[2.4]heptane-2-carboxamide has a molecular weight of 313.44 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[1-(hydroxymethyl)cyclopentyl]-2-phenylspiro[2.4]heptane-2-carboxamide is sourced from PubChem (CID 126423700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).