N-[[(2R)-2-(3-cyanophenyl)oxetan-2-yl]methyl]-6-oxaspiro[2.5]octane-2-carboxamide

C19H22N2O3 — CID 172583580

IUPACN-[[(2R)-2-(3-cyanophenyl)oxetan-2-yl]methyl]-6-oxaspiro[2.5]octane-2-carboxamide
SMILESN#Cc1cccc([C@@]2(CNC(=O)C3CC34CCOCC4)CCO2)c1
InChIInChI=1S/C19H22N2O3/c20-12-14-2-1-3-15(10-14)19(6-9-24-19)13-21-17(22)16-11-18(16)4-7-23-8-5-18/h1-3,10,16H,4-9,11,13H2,(H,21,22)/t16?,19-/m0/s1
InChIKeyRVPBFJNIGQVZQU-CVMIBEPCSA-N
MW326.40 g/mol
LogP2.11
Rot. Bonds4

About N-[[(2R)-2-(3-cyanophenyl)oxetan-2-yl]methyl]-6-oxaspiro[2.5]octane-2-carboxamide

N-[[(2R)-2-(3-cyanophenyl)oxetan-2-yl]methyl]-6-oxaspiro[2.5]octane-2-carboxamide (PubChem CID 172583580) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[[(2R)-2-(3-cyanophenyl)oxetan-2-yl]methyl]-6-oxaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-2-(3-cyanophenyl)oxetan-2-yl]methyl]-6-oxaspiro[2.5]octane-2-carboxamide
PubChem CID172583580
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-[[(2R)-2-(3-cyanophenyl)oxetan-2-yl]methyl]-6-oxaspiro[2.5]octane-2-carboxamide
SMILESN#Cc1cccc([C@@]2(CNC(=O)C3CC34CCOCC4)CCO2)c1
InChIInChI=1S/C19H22N2O3/c20-12-14-2-1-3-15(10-14)19(6-9-24-19)13-21-17(22)16-11-18(16)4-7-23-8-5-18/h1-3,10,16H,4-9,11,13H2,(H,21,22)/t16?,19-/m0/s1
InChIKeyRVPBFJNIGQVZQU-CVMIBEPCSA-N
XLogP2.11
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(2R)-2-(3-cyanophenyl)oxetan-2-yl]methyl]spiro[3.4]octane-8-carboxamide
CID 172583720
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
(1S)-N-[1-(3-cyanophenyl)cyclopropyl]-2,2-difluorocyclopropane-1-carboxamide
CID 125144380
2-(1-bicyclo[2.1.0]pentanyl)-N-[[2-(3-chlorophenyl)oxetan-2-yl]methyl]acetamide
CID 172583822
3-[[4-(3-cyanophenyl)oxan-4-yl]carbamoyl]benzoic acid
CID 154788901
N-[1-(3-cyanophenyl)cyclopropyl]oxirane-2-carboxamide
CID 154880376
(2R)-6-(2-phenoxyacetyl)-N-[(4-phenyloxan-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 42429739
(2S)-6-(2-phenoxyacetyl)-N-[(4-phenyloxan-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 42429738
3-[4-[(2-hydroxy-3-methylbutyl)amino]oxan-4-yl]benzonitrile
CID 167743049
N-[[3-(trifluoromethyl)phenyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 118759854
(2R)-6-[2-(1,3-benzodioxol-5-yl)acetyl]-N-[(4-phenyloxan-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 26324463

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-2-(3-cyanophenyl)oxetan-2-yl]methyl]-6-oxaspiro[2.5]octane-2-carboxamide?
The IUPAC name of N-[[(2R)-2-(3-cyanophenyl)oxetan-2-yl]methyl]-6-oxaspiro[2.5]octane-2-carboxamide (CID 172583580) is N-[[(2R)-2-(3-cyanophenyl)oxetan-2-yl]methyl]-6-oxaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for N-[[(2R)-2-(3-cyanophenyl)oxetan-2-yl]methyl]-6-oxaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for N-[[(2R)-2-(3-cyanophenyl)oxetan-2-yl]methyl]-6-oxaspiro[2.5]octane-2-carboxamide is N#Cc1cccc([C@@]2(CNC(=O)C3CC34CCOCC4)CCO2)c1.
What is the InChIKey of N-[[(2R)-2-(3-cyanophenyl)oxetan-2-yl]methyl]-6-oxaspiro[2.5]octane-2-carboxamide?
The InChIKey is RVPBFJNIGQVZQU-CVMIBEPCSA-N. The full InChI is InChI=1S/C19H22N2O3/c20-12-14-2-1-3-15(10-14)19(6-9-24-19)13-21-17(22)16-11-18(16)4-7-23-8-5-18/h1-3,10,16H,4-9,11,13H2,(H,21,22)/t16?,19-/m0/s1.
What are the key properties of N-[[(2R)-2-(3-cyanophenyl)oxetan-2-yl]methyl]-6-oxaspiro[2.5]octane-2-carboxamide?
N-[[(2R)-2-(3-cyanophenyl)oxetan-2-yl]methyl]-6-oxaspiro[2.5]octane-2-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-2-(3-cyanophenyl)oxetan-2-yl]methyl]-6-oxaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 172583580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).