N-[[(2R)-2-(3-cyanophenyl)oxetan-2-yl]methyl]spiro[3.4]octane-8-carboxamide

C20H24N2O2 — CID 172583720

IUPACN-[[(2R)-2-(3-cyanophenyl)oxetan-2-yl]methyl]spiro[3.4]octane-8-carboxamide
SMILESN#Cc1cccc([C@@]2(CNC(=O)C3CCCC34CCC4)CCO2)c1
InChIInChI=1S/C20H24N2O2/c21-13-15-4-1-5-16(12-15)20(10-11-24-20)14-22-18(23)17-6-2-7-19(17)8-3-9-19/h1,4-5,12,17H,2-3,6-11,14H2,(H,22,23)/t17?,20-/m0/s1
InChIKeyGLHDBNBVUXTZDE-OZBJMMHXSA-N
MW324.42 g/mol
LogP3.26
Rot. Bonds4

About N-[[(2R)-2-(3-cyanophenyl)oxetan-2-yl]methyl]spiro[3.4]octane-8-carboxamide

N-[[(2R)-2-(3-cyanophenyl)oxetan-2-yl]methyl]spiro[3.4]octane-8-carboxamide (PubChem CID 172583720) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-[[(2R)-2-(3-cyanophenyl)oxetan-2-yl]methyl]spiro[3.4]octane-8-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-2-(3-cyanophenyl)oxetan-2-yl]methyl]spiro[3.4]octane-8-carboxamide
PubChem CID172583720
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-[[(2R)-2-(3-cyanophenyl)oxetan-2-yl]methyl]spiro[3.4]octane-8-carboxamide
SMILESN#Cc1cccc([C@@]2(CNC(=O)C3CCCC34CCC4)CCO2)c1
InChIInChI=1S/C20H24N2O2/c21-13-15-4-1-5-16(12-15)20(10-11-24-20)14-22-18(23)17-6-2-7-19(17)8-3-9-19/h1,4-5,12,17H,2-3,6-11,14H2,(H,22,23)/t17?,20-/m0/s1
InChIKeyGLHDBNBVUXTZDE-OZBJMMHXSA-N
XLogP3.26
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(2R)-2-(3-cyanophenyl)oxetan-2-yl]methyl]-6-oxaspiro[2.5]octane-2-carboxamide
CID 172583580
N-[[(2S)-2-(3-cyanophenyl)oxetan-2-yl]methyl]-2-cyclohexylacetamide
CID 172583752
2-(2-bicyclo[2.2.1]heptanyl)-N-[[(2R)-2-(3-cyanophenyl)oxetan-2-yl]methyl]acetamide
CID 172583777
3-(1-hydroxycyclobutyl)benzonitrile
CID 141367616
N-[1-(3-cyanophenyl)cyclopropyl]oxirane-2-carboxamide
CID 154880376
N-[2-(3-cyanoanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 113001915
N-[(4-cyanophenyl)methyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 104916891
(1S)-N-[1-(3-cyanophenyl)cyclopropyl]-2,2-difluorocyclopropane-1-carboxamide
CID 125144380
3-[(1R,2R)-1-hydroxy-2-methylcyclopentyl]benzonitrile
CID 125426912
1-(3-cyanophenyl)cyclohexane-1-carboxylic acid
CID 117330593
N-[(3-cyanophenyl)methyl]cyclopentanecarboxamide
CID 47161592
3-(3-cyanophenyl)-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide
CID 77022338

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-2-(3-cyanophenyl)oxetan-2-yl]methyl]spiro[3.4]octane-8-carboxamide?
The IUPAC name of N-[[(2R)-2-(3-cyanophenyl)oxetan-2-yl]methyl]spiro[3.4]octane-8-carboxamide (CID 172583720) is N-[[(2R)-2-(3-cyanophenyl)oxetan-2-yl]methyl]spiro[3.4]octane-8-carboxamide.
What is the SMILES notation for N-[[(2R)-2-(3-cyanophenyl)oxetan-2-yl]methyl]spiro[3.4]octane-8-carboxamide?
The canonical SMILES for N-[[(2R)-2-(3-cyanophenyl)oxetan-2-yl]methyl]spiro[3.4]octane-8-carboxamide is N#Cc1cccc([C@@]2(CNC(=O)C3CCCC34CCC4)CCO2)c1.
What is the InChIKey of N-[[(2R)-2-(3-cyanophenyl)oxetan-2-yl]methyl]spiro[3.4]octane-8-carboxamide?
The InChIKey is GLHDBNBVUXTZDE-OZBJMMHXSA-N. The full InChI is InChI=1S/C20H24N2O2/c21-13-15-4-1-5-16(12-15)20(10-11-24-20)14-22-18(23)17-6-2-7-19(17)8-3-9-19/h1,4-5,12,17H,2-3,6-11,14H2,(H,22,23)/t17?,20-/m0/s1.
What are the key properties of N-[[(2R)-2-(3-cyanophenyl)oxetan-2-yl]methyl]spiro[3.4]octane-8-carboxamide?
N-[[(2R)-2-(3-cyanophenyl)oxetan-2-yl]methyl]spiro[3.4]octane-8-carboxamide has a molecular weight of 324.42 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-2-(3-cyanophenyl)oxetan-2-yl]methyl]spiro[3.4]octane-8-carboxamide is sourced from PubChem (CID 172583720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).