(2S)-2-cyclohexyl-2-phenyl-2-pyrrolidin-3-ylacetamide

C18H26N2O — CID 66858863

IUPAC(2S)-2-cyclohexyl-2-phenyl-2-pyrrolidin-3-ylacetamide
SMILESNC(=O)[C@@](c1ccccc1)(C1CCCCC1)C1CCNC1
InChIInChI=1S/C18H26N2O/c19-17(21)18(16-11-12-20-13-16,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1,3-4,7-8,15-16,20H,2,5-6,9-13H2,(H2,19,21)/t16?,18-/m0/s1
InChIKeyADPBMEZLTCJEOT-DAFXYXGESA-N
MW286.42 g/mol
LogP2.60
Rot. Bonds4

About (2S)-2-cyclohexyl-2-phenyl-2-pyrrolidin-3-ylacetamide

(2S)-2-cyclohexyl-2-phenyl-2-pyrrolidin-3-ylacetamide (PubChem CID 66858863) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is (2S)-2-cyclohexyl-2-phenyl-2-pyrrolidin-3-ylacetamide.

Molecular Properties

Compound Name(2S)-2-cyclohexyl-2-phenyl-2-pyrrolidin-3-ylacetamide
PubChem CID66858863
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name(2S)-2-cyclohexyl-2-phenyl-2-pyrrolidin-3-ylacetamide
SMILESNC(=O)[C@@](c1ccccc1)(C1CCCCC1)C1CCNC1
InChIInChI=1S/C18H26N2O/c19-17(21)18(16-11-12-20-13-16,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1,3-4,7-8,15-16,20H,2,5-6,9-13H2,(H2,19,21)/t16?,18-/m0/s1
InChIKeyADPBMEZLTCJEOT-DAFXYXGESA-N
XLogP2.60
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(azepan-3-yl)-2,2-diphenylacetamide
CID 21271164
(2R,3R)-2,3-dihydroxybutanedioic acid;2,2-diphenyl-2-[(3R)-pyrrolidin-3-yl]acetamide
CID 131844059
cyclohexyl-phenyl-piperidin-3-ylmethanol
CID 23966017
(2R)-2-cyclopentyl-2-phenyl-2-[(3R)-1-propan-2-ylpyrrolidin-3-yl]acetamide
CID 125491837
1-amino-2,2-diphenyl-2-pyrrolidin-3-ylethanol
CID 143839334
methyl (2S)-2-anilino-2-phenyl-2-pyrrolidin-3-ylacetate
CID 142788300
N,N-dimethyl-2,2-diphenyl-2-[(3R)-piperidin-3-yl]acetamide
CID 143291473
(1S)-1-phenyl-1-[(3R)-pyrrolidin-3-yl]propan-1-ol
CID 124705714
3-(1-hydroxy-1-pyrrolidin-3-ylethyl)benzoic acid
CID 115040778
piperidin-3-yl 2-cyclopentyl-2-hydroxy-2-phenylacetate;hydrochloride
CID 134123321
2-cyclohexyl-2-phenyl-4-piperidin-1-ylbutanamide;oxalic acid
CID 24842549
2-methyl-2-pyrrolidin-3-ylpropanamide;hydrochloride
CID 118918407

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclohexyl-2-phenyl-2-pyrrolidin-3-ylacetamide?
The IUPAC name of (2S)-2-cyclohexyl-2-phenyl-2-pyrrolidin-3-ylacetamide (CID 66858863) is (2S)-2-cyclohexyl-2-phenyl-2-pyrrolidin-3-ylacetamide.
What is the SMILES notation for (2S)-2-cyclohexyl-2-phenyl-2-pyrrolidin-3-ylacetamide?
The canonical SMILES for (2S)-2-cyclohexyl-2-phenyl-2-pyrrolidin-3-ylacetamide is NC(=O)[C@@](c1ccccc1)(C1CCCCC1)C1CCNC1.
What is the InChIKey of (2S)-2-cyclohexyl-2-phenyl-2-pyrrolidin-3-ylacetamide?
The InChIKey is ADPBMEZLTCJEOT-DAFXYXGESA-N. The full InChI is InChI=1S/C18H26N2O/c19-17(21)18(16-11-12-20-13-16,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1,3-4,7-8,15-16,20H,2,5-6,9-13H2,(H2,19,21)/t16?,18-/m0/s1.
What are the key properties of (2S)-2-cyclohexyl-2-phenyl-2-pyrrolidin-3-ylacetamide?
(2S)-2-cyclohexyl-2-phenyl-2-pyrrolidin-3-ylacetamide has a molecular weight of 286.42 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclohexyl-2-phenyl-2-pyrrolidin-3-ylacetamide is sourced from PubChem (CID 66858863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).