3-hydroxy-N-(4-octylphenyl)pyrrolidine-2-carboxamide

C19H30N2O2 — CID 70668594

IUPAC3-hydroxy-N-(4-octylphenyl)pyrrolidine-2-carboxamide
SMILESCCCCCCCCc1ccc(NC(=O)C2NCCC2O)cc1
InChIInChI=1S/C19H30N2O2/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)21-19(23)18-17(22)13-14-20-18/h9-12,17-18,20,22H,2-8,13-14H2,1H3,(H,21,23)
InChIKeyASHANVMWNYTGQK-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.25
Rot. Bonds9

About 3-hydroxy-N-(4-octylphenyl)pyrrolidine-2-carboxamide

3-hydroxy-N-(4-octylphenyl)pyrrolidine-2-carboxamide (PubChem CID 70668594) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 3-hydroxy-N-(4-octylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-(4-octylphenyl)pyrrolidine-2-carboxamide
PubChem CID70668594
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name3-hydroxy-N-(4-octylphenyl)pyrrolidine-2-carboxamide
SMILESCCCCCCCCc1ccc(NC(=O)C2NCCC2O)cc1
InChIInChI=1S/C19H30N2O2/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)21-19(23)18-17(22)13-14-20-18/h9-12,17-18,20,22H,2-8,13-14H2,1H3,(H,21,23)
InChIKeyASHANVMWNYTGQK-UHFFFAOYSA-N
XLogP3.25
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-hydroxy-N-[4-(4-hydroxyundecyl)phenyl]pyrrolidine-2-carboxamide
CID 45256011
(3S)-N-[4-(2-hexylsulfanylethyl)phenyl]-3-hydroxypyrrolidine-2-carboxamide
CID 45256009
N-[4-(hexoxymethyl)phenyl]-3-hydroxypyrrolidine-2-carboxamide
CID 66993193
1-[(3R)-3-hydroxypyrrolidin-2-yl]-2-(4-octylphenyl)ethanone
CID 58507095
N-[4-(3-cyclohexylpropyl)phenyl]-3-hydroxypyrrolidine-2-carboxamide
CID 75103478
N-(4-decylphenyl)piperidine-4-carboxamide;hydrochloride
CID 162755830
(2S)-N-(4-butylphenyl)pyrrolidine-2-carboxamide
CID 61156078
(2S,3S)-N-[[3-(4-heptylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-hydroxypyrrolidine-2-carboxamide
CID 45256740
N-(4-pentylphenyl)-2-pyrrolidin-2-ylacetamide
CID 61363717
N-(4-pentylphenyl)-2-piperidin-4-ylacetamide
CID 61247684
(2S,3S)-N-[(2-heptyl-1-benzofuran-5-yl)methyl]-3-hydroxypyrrolidine-2-carboxamide
CID 58507026
N-(4-pentylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119686937

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(4-octylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 3-hydroxy-N-(4-octylphenyl)pyrrolidine-2-carboxamide (CID 70668594) is 3-hydroxy-N-(4-octylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N-(4-octylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 3-hydroxy-N-(4-octylphenyl)pyrrolidine-2-carboxamide is CCCCCCCCc1ccc(NC(=O)C2NCCC2O)cc1.
What is the InChIKey of 3-hydroxy-N-(4-octylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is ASHANVMWNYTGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)21-19(23)18-17(22)13-14-20-18/h9-12,17-18,20,22H,2-8,13-14H2,1H3,(H,21,23).
What are the key properties of 3-hydroxy-N-(4-octylphenyl)pyrrolidine-2-carboxamide?
3-hydroxy-N-(4-octylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 318.46 g/mol, XLogP of 3.25, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(4-octylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 70668594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).