N-cyclohexyl-2-hydroxy-2-[(2S)-1-(quinoline-2-carbonyl)pyrrolidin-2-yl]acetamide

C22H27N3O3 — CID 10523905

IUPACN-cyclohexyl-2-hydroxy-2-[(2S)-1-(quinoline-2-carbonyl)pyrrolidin-2-yl]acetamide
SMILESO=C(NC1CCCCC1)C(O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2n1
InChIInChI=1S/C22H27N3O3/c26-20(21(27)23-16-8-2-1-3-9-16)19-11-6-14-25(19)22(28)18-13-12-15-7-4-5-10-17(15)24-18/h4-5,7,10,12-13,16,19-20,26H,1-3,6,8-9,11,14H2,(H,23,27)/t19-,20?/m0/s1
InChIKeyOJDSRWIHVWNPDT-XJDOXCRVSA-N
MW381.48 g/mol
LogP2.65
Rot. Bonds4

About N-cyclohexyl-2-hydroxy-2-[(2S)-1-(quinoline-2-carbonyl)pyrrolidin-2-yl]acetamide

N-cyclohexyl-2-hydroxy-2-[(2S)-1-(quinoline-2-carbonyl)pyrrolidin-2-yl]acetamide (PubChem CID 10523905) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-cyclohexyl-2-hydroxy-2-[(2S)-1-(quinoline-2-carbonyl)pyrrolidin-2-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-hydroxy-2-[(2S)-1-(quinoline-2-carbonyl)pyrrolidin-2-yl]acetamide
PubChem CID10523905
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-cyclohexyl-2-hydroxy-2-[(2S)-1-(quinoline-2-carbonyl)pyrrolidin-2-yl]acetamide
SMILESO=C(NC1CCCCC1)C(O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2n1
InChIInChI=1S/C22H27N3O3/c26-20(21(27)23-16-8-2-1-3-9-16)19-11-6-14-25(19)22(28)18-13-12-15-7-4-5-10-17(15)24-18/h4-5,7,10,12-13,16,19-20,26H,1-3,6,8-9,11,14H2,(H,23,27)/t19-,20?/m0/s1
InChIKeyOJDSRWIHVWNPDT-XJDOXCRVSA-N
XLogP2.65
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-[2-[2-(cyclohexylamino)-1-hydroxy-2-oxoethyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]quinoline-2-carboxamide
CID 57017062
2-[(2S)-1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidin-2-yl]-N-cycloheptyl-2-hydroxyacetamide
CID 10596394
N-cyclohexyl-2-hydroxy-2-[1-(3-phenoxybenzoyl)pyrrolidin-2-yl]acetamide
CID 57168474
[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-quinolin-2-ylmethanone
CID 129427982
[2-(methylaminomethyl)piperidin-1-yl]-quinolin-2-ylmethanone
CID 63249558
[(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-quinolin-2-ylmethanone
CID 95319800
[2-(3-aminopropyl)pyrrolidin-1-yl]-quinolin-2-ylmethanone
CID 63765568
azepan-1-yl(quinolin-2-yl)methanone
CID 7779308
1-(quinoline-2-carbonyl)piperidine-3-carboxylic acid
CID 16792484
(3R)-1-(quinoline-2-carbonyl)piperidine-3-carboxylic acid
CID 30121810
2-[(2S)-1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidin-2-yl]-N-cyclopropyl-2-hydroxyacetamide
CID 10640260
[2-(2-phenylpyrimidin-4-yl)pyrrolidin-1-yl]-quinolin-2-ylmethanone
CID 110253714

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-hydroxy-2-[(2S)-1-(quinoline-2-carbonyl)pyrrolidin-2-yl]acetamide?
The IUPAC name of N-cyclohexyl-2-hydroxy-2-[(2S)-1-(quinoline-2-carbonyl)pyrrolidin-2-yl]acetamide (CID 10523905) is N-cyclohexyl-2-hydroxy-2-[(2S)-1-(quinoline-2-carbonyl)pyrrolidin-2-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-hydroxy-2-[(2S)-1-(quinoline-2-carbonyl)pyrrolidin-2-yl]acetamide?
The canonical SMILES for N-cyclohexyl-2-hydroxy-2-[(2S)-1-(quinoline-2-carbonyl)pyrrolidin-2-yl]acetamide is O=C(NC1CCCCC1)C(O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2n1.
What is the InChIKey of N-cyclohexyl-2-hydroxy-2-[(2S)-1-(quinoline-2-carbonyl)pyrrolidin-2-yl]acetamide?
The InChIKey is OJDSRWIHVWNPDT-XJDOXCRVSA-N. The full InChI is InChI=1S/C22H27N3O3/c26-20(21(27)23-16-8-2-1-3-9-16)19-11-6-14-25(19)22(28)18-13-12-15-7-4-5-10-17(15)24-18/h4-5,7,10,12-13,16,19-20,26H,1-3,6,8-9,11,14H2,(H,23,27)/t19-,20?/m0/s1.
What are the key properties of N-cyclohexyl-2-hydroxy-2-[(2S)-1-(quinoline-2-carbonyl)pyrrolidin-2-yl]acetamide?
N-cyclohexyl-2-hydroxy-2-[(2S)-1-(quinoline-2-carbonyl)pyrrolidin-2-yl]acetamide has a molecular weight of 381.48 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-hydroxy-2-[(2S)-1-(quinoline-2-carbonyl)pyrrolidin-2-yl]acetamide is sourced from PubChem (CID 10523905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).