(2S)-2-amino-2-cyclohexyl-1-[(3R)-3-[2-[ethyl(2-phenylethyl)amino]ethyl]pyrrolidin-1-yl]ethanone

C24H39N3O — CID 143118349

IUPAC(2S)-2-amino-2-cyclohexyl-1-[(3R)-3-[2-[ethyl(2-phenylethyl)amino]ethyl]pyrrolidin-1-yl]ethanone
SMILESCCN(CCc1ccccc1)CC[C@@H]1CCN(C(=O)[C@@H](N)C2CCCCC2)C1
InChIInChI=1S/C24H39N3O/c1-2-26(16-13-20-9-5-3-6-10-20)17-14-21-15-18-27(19-21)24(28)23(25)22-11-7-4-8-12-22/h3,5-6,9-10,21-23H,2,4,7-8,11-19,25H2,1H3/t21-,23+/m1/s1
InChIKeyISODRSHNYVDHDX-GGAORHGYSA-N
MW385.60 g/mol
LogP3.70
Rot. Bonds9

About (2S)-2-amino-2-cyclohexyl-1-[(3R)-3-[2-[ethyl(2-phenylethyl)amino]ethyl]pyrrolidin-1-yl]ethanone

(2S)-2-amino-2-cyclohexyl-1-[(3R)-3-[2-[ethyl(2-phenylethyl)amino]ethyl]pyrrolidin-1-yl]ethanone (PubChem CID 143118349) has the molecular formula C24H39N3O and a molecular weight of 385.60 g/mol. Its IUPAC name is (2S)-2-amino-2-cyclohexyl-1-[(3R)-3-[2-[ethyl(2-phenylethyl)amino]ethyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name(2S)-2-amino-2-cyclohexyl-1-[(3R)-3-[2-[ethyl(2-phenylethyl)amino]ethyl]pyrrolidin-1-yl]ethanone
PubChem CID143118349
Molecular FormulaC24H39N3O
Molecular Weight385.60 g/mol
Exact Mass385.31
IUPAC Name(2S)-2-amino-2-cyclohexyl-1-[(3R)-3-[2-[ethyl(2-phenylethyl)amino]ethyl]pyrrolidin-1-yl]ethanone
SMILESCCN(CCc1ccccc1)CC[C@@H]1CCN(C(=O)[C@@H](N)C2CCCCC2)C1
InChIInChI=1S/C24H39N3O/c1-2-26(16-13-20-9-5-3-6-10-20)17-14-21-15-18-27(19-21)24(28)23(25)22-11-7-4-8-12-22/h3,5-6,9-10,21-23H,2,4,7-8,11-19,25H2,1H3/t21-,23+/m1/s1
InChIKeyISODRSHNYVDHDX-GGAORHGYSA-N
XLogP3.70
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.60
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(diethylamino)ethyl]pyrrolidine-1-carboxylic acid
CID 126573235
(2S)-2-amino-1-[3-(hydroxymethyl)pyrrolidin-1-yl]-4-phenylbutan-1-one
CID 104984754
(2S)-2-amino-1-(3-ethylpiperidin-1-yl)-4-phenylbutan-1-one
CID 104983954
benzyl N-[[1-[(2S)-2-aminopropanoyl]pyrrolidin-3-yl]methyl]-N-ethylcarbamate
CID 66566754
2-amino-1-[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119896673
2-amino-1-[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119896751
(2R)-2-amino-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119276186
3-amino-1-(3-benzylpyrrolidin-1-yl)-2-methyl-3-phenylpropan-1-one
CID 119725030
(2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-2-cyclohexyl-N-methylacetamide
CID 70738202
1-[3-(2-bromoethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 114801409
2-amino-3-phenyl-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one
CID 119276181
1-[3-(bromomethyl)pyrrolidin-1-yl]-2-phenylbutan-1-one
CID 80667782

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-cyclohexyl-1-[(3R)-3-[2-[ethyl(2-phenylethyl)amino]ethyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of (2S)-2-amino-2-cyclohexyl-1-[(3R)-3-[2-[ethyl(2-phenylethyl)amino]ethyl]pyrrolidin-1-yl]ethanone (CID 143118349) is (2S)-2-amino-2-cyclohexyl-1-[(3R)-3-[2-[ethyl(2-phenylethyl)amino]ethyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for (2S)-2-amino-2-cyclohexyl-1-[(3R)-3-[2-[ethyl(2-phenylethyl)amino]ethyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for (2S)-2-amino-2-cyclohexyl-1-[(3R)-3-[2-[ethyl(2-phenylethyl)amino]ethyl]pyrrolidin-1-yl]ethanone is CCN(CCc1ccccc1)CC[C@@H]1CCN(C(=O)[C@@H](N)C2CCCCC2)C1.
What is the InChIKey of (2S)-2-amino-2-cyclohexyl-1-[(3R)-3-[2-[ethyl(2-phenylethyl)amino]ethyl]pyrrolidin-1-yl]ethanone?
The InChIKey is ISODRSHNYVDHDX-GGAORHGYSA-N. The full InChI is InChI=1S/C24H39N3O/c1-2-26(16-13-20-9-5-3-6-10-20)17-14-21-15-18-27(19-21)24(28)23(25)22-11-7-4-8-12-22/h3,5-6,9-10,21-23H,2,4,7-8,11-19,25H2,1H3/t21-,23+/m1/s1.
What are the key properties of (2S)-2-amino-2-cyclohexyl-1-[(3R)-3-[2-[ethyl(2-phenylethyl)amino]ethyl]pyrrolidin-1-yl]ethanone?
(2S)-2-amino-2-cyclohexyl-1-[(3R)-3-[2-[ethyl(2-phenylethyl)amino]ethyl]pyrrolidin-1-yl]ethanone has a molecular weight of 385.60 g/mol, XLogP of 3.70, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-cyclohexyl-1-[(3R)-3-[2-[ethyl(2-phenylethyl)amino]ethyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 143118349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).