N-(4-ethoxy-3-methylphenyl)-3-hydroxypyrrolidine-1-carboxamide

C14H20N2O3 — CID 84600938

IUPACN-(4-ethoxy-3-methylphenyl)-3-hydroxypyrrolidine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCC(O)C2)cc1C
InChIInChI=1S/C14H20N2O3/c1-3-19-13-5-4-11(8-10(13)2)15-14(18)16-7-6-12(17)9-16/h4-5,8,12,17H,3,6-7,9H2,1-2H3,(H,15,18)
InChIKeyFSFRHNAHONCQFO-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.99
Rot. Bonds3

About N-(4-ethoxy-3-methylphenyl)-3-hydroxypyrrolidine-1-carboxamide

N-(4-ethoxy-3-methylphenyl)-3-hydroxypyrrolidine-1-carboxamide (PubChem CID 84600938) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-(4-ethoxy-3-methylphenyl)-3-hydroxypyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxy-3-methylphenyl)-3-hydroxypyrrolidine-1-carboxamide
PubChem CID84600938
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-(4-ethoxy-3-methylphenyl)-3-hydroxypyrrolidine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCC(O)C2)cc1C
InChIInChI=1S/C14H20N2O3/c1-3-19-13-5-4-11(8-10(13)2)15-14(18)16-7-6-12(17)9-16/h4-5,8,12,17H,3,6-7,9H2,1-2H3,(H,15,18)
InChIKeyFSFRHNAHONCQFO-UHFFFAOYSA-N
XLogP1.99
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-hydroxy-N-(4-methoxy-3-methylphenyl)pyrrolidine-1-carboxamide
CID 111431474
(3R)-N-(3,4-dimethylphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111430925
N-(4-ethoxy-3-methylphenyl)morpholine-4-carboxamide
CID 47410728
(3S)-N-(4-ethoxy-3-methylphenyl)-3-(propanoylamino)piperidine-1-carboxamide
CID 95595317
N-(4-ethoxy-3-methylphenyl)-3-(propanoylamino)piperidine-1-carboxamide
CID 56822388
(3R)-N-(4-ethoxy-3-methylphenyl)-3-(propanoylamino)piperidine-1-carboxamide
CID 95595316
(3R)-N-(4-ethoxy-3-methylphenyl)-3-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide
CID 95622514
4-(2,2-difluoroethyl)-N-(4-ethoxy-3-methylphenyl)piperazine-1-carboxamide
CID 49118117
(3S)-N-(2-ethoxy-4-fluorophenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111431407
1-[(3-ethoxy-4-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122079089
(3R)-N-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-hydroxypyrrolidine-1-carboxamide
CID 111431517
(2R)-N-(4-ethoxy-3-methylphenyl)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide
CID 97340327

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-3-methylphenyl)-3-hydroxypyrrolidine-1-carboxamide?
The IUPAC name of N-(4-ethoxy-3-methylphenyl)-3-hydroxypyrrolidine-1-carboxamide (CID 84600938) is N-(4-ethoxy-3-methylphenyl)-3-hydroxypyrrolidine-1-carboxamide.
What is the SMILES notation for N-(4-ethoxy-3-methylphenyl)-3-hydroxypyrrolidine-1-carboxamide?
The canonical SMILES for N-(4-ethoxy-3-methylphenyl)-3-hydroxypyrrolidine-1-carboxamide is CCOc1ccc(NC(=O)N2CCC(O)C2)cc1C.
What is the InChIKey of N-(4-ethoxy-3-methylphenyl)-3-hydroxypyrrolidine-1-carboxamide?
The InChIKey is FSFRHNAHONCQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-3-19-13-5-4-11(8-10(13)2)15-14(18)16-7-6-12(17)9-16/h4-5,8,12,17H,3,6-7,9H2,1-2H3,(H,15,18).
What are the key properties of N-(4-ethoxy-3-methylphenyl)-3-hydroxypyrrolidine-1-carboxamide?
N-(4-ethoxy-3-methylphenyl)-3-hydroxypyrrolidine-1-carboxamide has a molecular weight of 264.32 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-3-methylphenyl)-3-hydroxypyrrolidine-1-carboxamide is sourced from PubChem (CID 84600938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).