N-cyclohexyl-2-hydroxy-2-[1-(3-phenoxybenzoyl)pyrrolidin-2-yl]acetamide

C25H30N2O4 — CID 57168474

IUPACN-cyclohexyl-2-hydroxy-2-[1-(3-phenoxybenzoyl)pyrrolidin-2-yl]acetamide
SMILESO=C(NC1CCCCC1)C(O)C1CCCN1C(=O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C25H30N2O4/c28-23(24(29)26-19-10-3-1-4-11-19)22-15-8-16-27(22)25(30)18-9-7-14-21(17-18)31-20-12-5-2-6-13-20/h2,5-7,9,12-14,17,19,22-23,28H,1,3-4,8,10-11,15-16H2,(H,26,29)
InChIKeyJCAFUWAEFDNXLY-UHFFFAOYSA-N
MW422.53 g/mol
LogP3.89
Rot. Bonds6

About N-cyclohexyl-2-hydroxy-2-[1-(3-phenoxybenzoyl)pyrrolidin-2-yl]acetamide

N-cyclohexyl-2-hydroxy-2-[1-(3-phenoxybenzoyl)pyrrolidin-2-yl]acetamide (PubChem CID 57168474) has the molecular formula C25H30N2O4 and a molecular weight of 422.53 g/mol. Its IUPAC name is N-cyclohexyl-2-hydroxy-2-[1-(3-phenoxybenzoyl)pyrrolidin-2-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-hydroxy-2-[1-(3-phenoxybenzoyl)pyrrolidin-2-yl]acetamide
PubChem CID57168474
Molecular FormulaC25H30N2O4
Molecular Weight422.53 g/mol
Exact Mass422.22
IUPAC NameN-cyclohexyl-2-hydroxy-2-[1-(3-phenoxybenzoyl)pyrrolidin-2-yl]acetamide
SMILESO=C(NC1CCCCC1)C(O)C1CCCN1C(=O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C25H30N2O4/c28-23(24(29)26-19-10-3-1-4-11-19)22-15-8-16-27(22)25(30)18-9-7-14-21(17-18)31-20-12-5-2-6-13-20/h2,5-7,9,12-14,17,19,22-23,28H,1,3-4,8,10-11,15-16H2,(H,26,29)
InChIKeyJCAFUWAEFDNXLY-UHFFFAOYSA-N
XLogP3.89
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-3-phenoxybenzamide
CID 2684460
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-phenoxybenzoate
CID 7985171
N-cyclohexyl-2-hydroxy-2-[(2S)-1-(quinoline-2-carbonyl)pyrrolidin-2-yl]acetamide
CID 10523905
2-[(2S)-1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidin-2-yl]-N-cycloheptyl-2-hydroxyacetamide
CID 10596394
[2-(1-aminoethyl)piperidin-1-yl]-(3-pyridin-4-yloxyphenyl)methanone
CID 119434742
[2-(aminomethyl)piperidin-1-yl]-(3-phenoxyphenyl)methanone;hydrochloride
CID 119467327
N,N-dimethyl-1-(3-phenoxybenzoyl)pyrrolidine-2-carboxamide
CID 134033098
(3-methoxyphenyl)-[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methanone
CID 95592187
[2-(1-phenoxyethyl)piperidin-1-yl]-phenylmethanone
CID 90696413
benzyl N-[(2S)-1-[2-[2-(cyclohexylamino)-1-hydroxy-2-oxoethyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 56985401
2-(1-benzoylpyrrolidin-2-yl)-N-cyclohexyl-2-oxoacetamide
CID 67878467
tert-butyl 2-[2-(cyclohexylamino)-1-hydroxy-2-oxoethyl]pyrrolidine-1-carboxylate
CID 57022513

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-hydroxy-2-[1-(3-phenoxybenzoyl)pyrrolidin-2-yl]acetamide?
The IUPAC name of N-cyclohexyl-2-hydroxy-2-[1-(3-phenoxybenzoyl)pyrrolidin-2-yl]acetamide (CID 57168474) is N-cyclohexyl-2-hydroxy-2-[1-(3-phenoxybenzoyl)pyrrolidin-2-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-hydroxy-2-[1-(3-phenoxybenzoyl)pyrrolidin-2-yl]acetamide?
The canonical SMILES for N-cyclohexyl-2-hydroxy-2-[1-(3-phenoxybenzoyl)pyrrolidin-2-yl]acetamide is O=C(NC1CCCCC1)C(O)C1CCCN1C(=O)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of N-cyclohexyl-2-hydroxy-2-[1-(3-phenoxybenzoyl)pyrrolidin-2-yl]acetamide?
The InChIKey is JCAFUWAEFDNXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O4/c28-23(24(29)26-19-10-3-1-4-11-19)22-15-8-16-27(22)25(30)18-9-7-14-21(17-18)31-20-12-5-2-6-13-20/h2,5-7,9,12-14,17,19,22-23,28H,1,3-4,8,10-11,15-16H2,(H,26,29).
What are the key properties of N-cyclohexyl-2-hydroxy-2-[1-(3-phenoxybenzoyl)pyrrolidin-2-yl]acetamide?
N-cyclohexyl-2-hydroxy-2-[1-(3-phenoxybenzoyl)pyrrolidin-2-yl]acetamide has a molecular weight of 422.53 g/mol, XLogP of 3.89, 6 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-[1-(3-phenoxybenzoyl)pyrrolidin-2-yl]acetamide is sourced from PubChem (CID 57168474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).