N-[4-(2-hydroxyethyl)phenyl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide

C18H26N2O3 — CID 84599579

IUPACN-[4-(2-hydroxyethyl)phenyl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(CCO)cc1)C1CCCN1C1CCOCC1
InChIInChI=1S/C18H26N2O3/c21-11-7-14-3-5-15(6-4-14)19-18(22)17-2-1-10-20(17)16-8-12-23-13-9-16/h3-6,16-17,21H,1-2,7-13H2,(H,19,22)
InChIKeyXRTFCNKPRLZKDJ-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.80
Rot. Bonds5

About N-[4-(2-hydroxyethyl)phenyl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide

N-[4-(2-hydroxyethyl)phenyl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide (PubChem CID 84599579) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[4-(2-hydroxyethyl)phenyl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2-hydroxyethyl)phenyl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide
PubChem CID84599579
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-[4-(2-hydroxyethyl)phenyl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(CCO)cc1)C1CCCN1C1CCOCC1
InChIInChI=1S/C18H26N2O3/c21-11-7-14-3-5-15(6-4-14)19-18(22)17-2-1-10-20(17)16-8-12-23-13-9-16/h3-6,16-17,21H,1-2,7-13H2,(H,19,22)
InChIKeyXRTFCNKPRLZKDJ-UHFFFAOYSA-N
XLogP1.80
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-hydroxyethyl)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 61221418
N-[4-(2-hydroxyethyl)phenyl]oxane-2-carboxamide
CID 62212827
N-(4-chlorophenyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 61020001
1-(oxan-4-yl)pyrrolidine-2-carboxylic acid
CID 51063851
(2R)-1-(furan-2-carbonyl)-N-[4-(2-morpholin-4-ylethyl)phenyl]pyrrolidine-2-carboxamide
CID 51966665
N-(1,4-dimethyl-6-oxo-3-pyridinyl)-1-(oxan-4-yl)pyrrolidine-2-carboxamide
CID 127616242
(2R)-N-[(3-hydroxy-2-pyridinyl)methyl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide
CID 124739174
(2R)-N'-(4-ethoxybenzoyl)-1-(oxan-4-yl)pyrrolidine-2-carbohydrazide
CID 97101186
(2S)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide
CID 124883625
(2S)-1-(oxan-4-yl)-N-[(2S)-1-thiophen-2-ylpropan-2-yl]pyrrolidine-2-carboxamide
CID 124591408
2-[4-[[1-(morpholine-4-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethyl N-tert-butylcarbamate
CID 175609498
N-[4-(2-hydroxyethyl)phenyl]azepane-1-carboxamide
CID 79152025

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxyethyl)phenyl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide?
The IUPAC name of N-[4-(2-hydroxyethyl)phenyl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide (CID 84599579) is N-[4-(2-hydroxyethyl)phenyl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[4-(2-hydroxyethyl)phenyl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-[4-(2-hydroxyethyl)phenyl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide is O=C(Nc1ccc(CCO)cc1)C1CCCN1C1CCOCC1.
What is the InChIKey of N-[4-(2-hydroxyethyl)phenyl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide?
The InChIKey is XRTFCNKPRLZKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c21-11-7-14-3-5-15(6-4-14)19-18(22)17-2-1-10-20(17)16-8-12-23-13-9-16/h3-6,16-17,21H,1-2,7-13H2,(H,19,22).
What are the key properties of N-[4-(2-hydroxyethyl)phenyl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide?
N-[4-(2-hydroxyethyl)phenyl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxyethyl)phenyl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 84599579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).