(2R)-2-amino-1-(1,3-dihydroisoindol-2-yl)-2-(4-pyrrolidin-1-ylcyclohexyl)ethanone

C20H29N3O — CID 170902557

IUPAC(2R)-2-amino-1-(1,3-dihydroisoindol-2-yl)-2-(4-pyrrolidin-1-ylcyclohexyl)ethanone
SMILESN[C@@H](C(=O)N1Cc2ccccc2C1)C1CCC(N2CCCC2)CC1
InChIInChI=1S/C20H29N3O/c21-19(15-7-9-18(10-8-15)22-11-3-4-12-22)20(24)23-13-16-5-1-2-6-17(16)14-23/h1-2,5-6,15,18-19H,3-4,7-14,21H2/t15?,18?,19-/m1/s1
InChIKeySYXDQNGJEXFDND-XUJQIHCRSA-N
MW327.47 g/mol
LogP2.51
Rot. Bonds3

About (2R)-2-amino-1-(1,3-dihydroisoindol-2-yl)-2-(4-pyrrolidin-1-ylcyclohexyl)ethanone

(2R)-2-amino-1-(1,3-dihydroisoindol-2-yl)-2-(4-pyrrolidin-1-ylcyclohexyl)ethanone (PubChem CID 170902557) has the molecular formula C20H29N3O and a molecular weight of 327.47 g/mol. Its IUPAC name is (2R)-2-amino-1-(1,3-dihydroisoindol-2-yl)-2-(4-pyrrolidin-1-ylcyclohexyl)ethanone.

Molecular Properties

Compound Name(2R)-2-amino-1-(1,3-dihydroisoindol-2-yl)-2-(4-pyrrolidin-1-ylcyclohexyl)ethanone
PubChem CID170902557
Molecular FormulaC20H29N3O
Molecular Weight327.47 g/mol
Exact Mass327.23
IUPAC Name(2R)-2-amino-1-(1,3-dihydroisoindol-2-yl)-2-(4-pyrrolidin-1-ylcyclohexyl)ethanone
SMILESN[C@@H](C(=O)N1Cc2ccccc2C1)C1CCC(N2CCCC2)CC1
InChIInChI=1S/C20H29N3O/c21-19(15-7-9-18(10-8-15)22-11-3-4-12-22)20(24)23-13-16-5-1-2-6-17(16)14-23/h1-2,5-6,15,18-19H,3-4,7-14,21H2/t15?,18?,19-/m1/s1
InChIKeySYXDQNGJEXFDND-XUJQIHCRSA-N
XLogP2.51
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-amino-1-(1,3-dihydroisoindol-2-yl)-2-(4-pyrrolidin-1-ylcyclohexyl)ethanone with MolForge

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Related Compounds

2-amino-1-(1,3-dihydroisoindol-2-yl)-2-(oxan-4-yl)ethanone
CID 120792528
(2S)-2-amino-2-cyclopentyl-1-(5-methyl-1,3-dihydroisoindol-2-yl)ethanone
CID 153453871
2-amino-1-(3,3-difluoropyrrolidin-1-yl)-2-[4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)cyclohexyl]ethanone;methanol
CID 143123415
2-amino-2-phenyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride
CID 119843387
(2R)-2-amino-1-(1,3-dihydroisoindol-2-yl)propan-1-one;hydrochloride
CID 91647685
(2S)-2-amino-1-(1,3-dihydroisoindol-2-yl)propan-1-one;hydrochloride
CID 91647686
(2S)-2-amino-3-phenyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
CID 119842941
(2S)-2-amino-1-(1,3-dihydroisoindol-2-yl)-3-methylbutan-1-one
CID 62232341
(2R)-2-amino-1-(1,3-dihydroisoindol-2-yl)-3-methylbutan-1-one
CID 69186107
(2R)-2-amino-2-phenyl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone
CID 63166896
2-amino-2-(oxan-4-yl)-1-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone
CID 120800008
2-cyclopropyl-1,3-dihydroisoindole
CID 12953703

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-(1,3-dihydroisoindol-2-yl)-2-(4-pyrrolidin-1-ylcyclohexyl)ethanone?
The IUPAC name of (2R)-2-amino-1-(1,3-dihydroisoindol-2-yl)-2-(4-pyrrolidin-1-ylcyclohexyl)ethanone (CID 170902557) is (2R)-2-amino-1-(1,3-dihydroisoindol-2-yl)-2-(4-pyrrolidin-1-ylcyclohexyl)ethanone.
What is the SMILES notation for (2R)-2-amino-1-(1,3-dihydroisoindol-2-yl)-2-(4-pyrrolidin-1-ylcyclohexyl)ethanone?
The canonical SMILES for (2R)-2-amino-1-(1,3-dihydroisoindol-2-yl)-2-(4-pyrrolidin-1-ylcyclohexyl)ethanone is N[C@@H](C(=O)N1Cc2ccccc2C1)C1CCC(N2CCCC2)CC1.
What is the InChIKey of (2R)-2-amino-1-(1,3-dihydroisoindol-2-yl)-2-(4-pyrrolidin-1-ylcyclohexyl)ethanone?
The InChIKey is SYXDQNGJEXFDND-XUJQIHCRSA-N. The full InChI is InChI=1S/C20H29N3O/c21-19(15-7-9-18(10-8-15)22-11-3-4-12-22)20(24)23-13-16-5-1-2-6-17(16)14-23/h1-2,5-6,15,18-19H,3-4,7-14,21H2/t15?,18?,19-/m1/s1.
What are the key properties of (2R)-2-amino-1-(1,3-dihydroisoindol-2-yl)-2-(4-pyrrolidin-1-ylcyclohexyl)ethanone?
(2R)-2-amino-1-(1,3-dihydroisoindol-2-yl)-2-(4-pyrrolidin-1-ylcyclohexyl)ethanone has a molecular weight of 327.47 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-(1,3-dihydroisoindol-2-yl)-2-(4-pyrrolidin-1-ylcyclohexyl)ethanone is sourced from PubChem (CID 170902557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).