(2R)-2-amino-1-(2-cyclohexylpyrrolidin-1-yl)-2-phenylethanone

C18H26N2O — CID 61164920

IUPAC(2R)-2-amino-1-(2-cyclohexylpyrrolidin-1-yl)-2-phenylethanone
SMILESN[C@@H](C(=O)N1CCCC1C1CCCCC1)c1ccccc1
InChIInChI=1S/C18H26N2O/c19-17(15-10-5-2-6-11-15)18(21)20-13-7-12-16(20)14-8-3-1-4-9-14/h2,5-6,10-11,14,16-17H,1,3-4,7-9,12-13,19H2/t16?,17-/m1/s1
InChIKeyIIFRHQDMJFAOCF-ZYMOGRSISA-N
MW286.42 g/mol
LogP3.26
Rot. Bonds3

About (2R)-2-amino-1-(2-cyclohexylpyrrolidin-1-yl)-2-phenylethanone

(2R)-2-amino-1-(2-cyclohexylpyrrolidin-1-yl)-2-phenylethanone (PubChem CID 61164920) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is (2R)-2-amino-1-(2-cyclohexylpyrrolidin-1-yl)-2-phenylethanone.

Molecular Properties

Compound Name(2R)-2-amino-1-(2-cyclohexylpyrrolidin-1-yl)-2-phenylethanone
PubChem CID61164920
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name(2R)-2-amino-1-(2-cyclohexylpyrrolidin-1-yl)-2-phenylethanone
SMILESN[C@@H](C(=O)N1CCCC1C1CCCCC1)c1ccccc1
InChIInChI=1S/C18H26N2O/c19-17(15-10-5-2-6-11-15)18(21)20-13-7-12-16(20)14-8-3-1-4-9-14/h2,5-6,10-11,14,16-17H,1,3-4,7-9,12-13,19H2/t16?,17-/m1/s1
InChIKeyIIFRHQDMJFAOCF-ZYMOGRSISA-N
XLogP3.26
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(2-azabicyclo[4.1.0]heptan-2-yl)-2-phenylethanone
CID 117045936
1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-amino-2-(4-methylphenyl)ethanone
CID 106312449
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-chloro-2-phenylethanone
CID 43628136
2-amino-1-(2-methylpiperidin-1-yl)-2-phenylethanone
CID 24694891
2-amino-1-(3-cyclopropylmorpholin-4-yl)-2-phenylethanone
CID 91660196
2-amino-1-(2-cyclopentylpyrrolidin-1-yl)-2-thiophen-2-ylethanone
CID 115287116
(2R)-2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-phenylethanone
CID 61409346
(2S)-2-amino-1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-phenylethanone
CID 104897452
2-amino-1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-phenylethanone
CID 60945116
(2S)-1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-amino-2-phenylethanone
CID 104897194
(2R)-1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-amino-2-phenylethanone
CID 61156147
1-(2-amino-2-phenylacetyl)-N-methylpyrrolidine-2-carboxamide
CID 60953274

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-(2-cyclohexylpyrrolidin-1-yl)-2-phenylethanone?
The IUPAC name of (2R)-2-amino-1-(2-cyclohexylpyrrolidin-1-yl)-2-phenylethanone (CID 61164920) is (2R)-2-amino-1-(2-cyclohexylpyrrolidin-1-yl)-2-phenylethanone.
What is the SMILES notation for (2R)-2-amino-1-(2-cyclohexylpyrrolidin-1-yl)-2-phenylethanone?
The canonical SMILES for (2R)-2-amino-1-(2-cyclohexylpyrrolidin-1-yl)-2-phenylethanone is N[C@@H](C(=O)N1CCCC1C1CCCCC1)c1ccccc1.
What is the InChIKey of (2R)-2-amino-1-(2-cyclohexylpyrrolidin-1-yl)-2-phenylethanone?
The InChIKey is IIFRHQDMJFAOCF-ZYMOGRSISA-N. The full InChI is InChI=1S/C18H26N2O/c19-17(15-10-5-2-6-11-15)18(21)20-13-7-12-16(20)14-8-3-1-4-9-14/h2,5-6,10-11,14,16-17H,1,3-4,7-9,12-13,19H2/t16?,17-/m1/s1.
What are the key properties of (2R)-2-amino-1-(2-cyclohexylpyrrolidin-1-yl)-2-phenylethanone?
(2R)-2-amino-1-(2-cyclohexylpyrrolidin-1-yl)-2-phenylethanone has a molecular weight of 286.42 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-(2-cyclohexylpyrrolidin-1-yl)-2-phenylethanone is sourced from PubChem (CID 61164920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).