(2R)-N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]spiro[2.2]pentane-2-carboxamide

C17H22N2O — CID 126443036

IUPAC(2R)-N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]spiro[2.2]pentane-2-carboxamide
SMILESCN1Cc2ccc(CN(C)C(=O)[C@@H]3CC34CC4)cc2C1
InChIInChI=1S/C17H22N2O/c1-18-10-13-4-3-12(7-14(13)11-18)9-19(2)16(20)15-8-17(15)5-6-17/h3-4,7,15H,5-6,8-11H2,1-2H3/t15-/m0/s1
InChIKeyPVAQXAWCVRMMFY-HNNXBMFYSA-N
MW270.38 g/mol
LogP2.39
Rot. Bonds3

About (2R)-N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]spiro[2.2]pentane-2-carboxamide

(2R)-N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]spiro[2.2]pentane-2-carboxamide (PubChem CID 126443036) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is (2R)-N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]spiro[2.2]pentane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]spiro[2.2]pentane-2-carboxamide
PubChem CID126443036
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name(2R)-N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]spiro[2.2]pentane-2-carboxamide
SMILESCN1Cc2ccc(CN(C)C(=O)[C@@H]3CC34CC4)cc2C1
InChIInChI=1S/C17H22N2O/c1-18-10-13-4-3-12(7-14(13)11-18)9-19(2)16(20)15-8-17(15)5-6-17/h3-4,7,15H,5-6,8-11H2,1-2H3/t15-/m0/s1
InChIKeyPVAQXAWCVRMMFY-HNNXBMFYSA-N
XLogP2.39
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2R)-N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]spiro[2.2]pentane-2-carboxamide with MolForge

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Related Compounds

1-(2-amino-2-oxoethyl)-N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]piperidine-4-carboxamide
CID 70742720
4-(2-aminoethyl)-N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]benzamide
CID 122559119
formic acid;N,2,4-trimethyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]-1,3-oxazole-5-carboxamide
CID 154908958
2-ethoxy-N,2-dimethyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]propanamide;formic acid
CID 154909390
(1S)-N-(1,3-benzodioxol-5-ylmethyl)-2,2-dichloro-N-methylcyclopropane-1-carboxamide
CID 39952466
N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]-4-(6-methylpyridazin-3-yl)benzamide
CID 119071188
1-methyl-1-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]-3-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]urea
CID 126444909
N-benzyl-N,2-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 87054496
N-[(4-aminophenyl)methyl]-N,2,2-trimethylcyclopropane-1-carboxamide
CID 107000215
(2-methyl-1,3-dihydroisoindol-5-yl)methanamine
CID 82502825
N,2-dimethyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]-2-piperidin-1-ylpropan-1-amine
CID 77097801
2,3-dihydro-1H-inden-5-ylmethyl(methyl)carbamothioic S-acid
CID 115170087

Frequently Asked Questions

What is the IUPAC name of (2R)-N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]spiro[2.2]pentane-2-carboxamide?
The IUPAC name of (2R)-N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]spiro[2.2]pentane-2-carboxamide (CID 126443036) is (2R)-N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]spiro[2.2]pentane-2-carboxamide.
What is the SMILES notation for (2R)-N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]spiro[2.2]pentane-2-carboxamide?
The canonical SMILES for (2R)-N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]spiro[2.2]pentane-2-carboxamide is CN1Cc2ccc(CN(C)C(=O)[C@@H]3CC34CC4)cc2C1.
What is the InChIKey of (2R)-N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]spiro[2.2]pentane-2-carboxamide?
The InChIKey is PVAQXAWCVRMMFY-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-18-10-13-4-3-12(7-14(13)11-18)9-19(2)16(20)15-8-17(15)5-6-17/h3-4,7,15H,5-6,8-11H2,1-2H3/t15-/m0/s1.
What are the key properties of (2R)-N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]spiro[2.2]pentane-2-carboxamide?
(2R)-N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]spiro[2.2]pentane-2-carboxamide has a molecular weight of 270.38 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]spiro[2.2]pentane-2-carboxamide is sourced from PubChem (CID 126443036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).