4-(3-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide

C14H20N2O2 — CID 114487125

IUPAC4-(3-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
SMILESCC(C)Oc1cccc(C2CNCC2C(N)=O)c1
InChIInChI=1S/C14H20N2O2/c1-9(2)18-11-5-3-4-10(6-11)12-7-16-8-13(12)14(15)17/h3-6,9,12-13,16H,7-8H2,1-2H3,(H2,15,17)
InChIKeyMQYLCFRCMUEUPT-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.26
Rot. Bonds4

About 4-(3-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide

4-(3-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide (PubChem CID 114487125) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-(3-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name4-(3-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
PubChem CID114487125
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name4-(3-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
SMILESCC(C)Oc1cccc(C2CNCC2C(N)=O)c1
InChIInChI=1S/C14H20N2O2/c1-9(2)18-11-5-3-4-10(6-11)12-7-16-8-13(12)14(15)17/h3-6,9,12-13,16H,7-8H2,1-2H3,(H2,15,17)
InChIKeyMQYLCFRCMUEUPT-UHFFFAOYSA-N
XLogP1.26
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4R)-4-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 2762171
3-methyl-4-(3-propan-2-yloxyphenyl)piperidine
CID 79320306
2-(3-propan-2-yloxyphenyl)cyclopentan-1-ol
CID 2759478
azetidin-3-yl-(3-propan-2-yloxyphenyl)methanone
CID 116583790
methyl (3R,4R)-3-(3-methoxyphenyl)piperidine-4-carboxylate
CID 99942545
5-ethyl-4-(3-propan-2-yloxyphenyl)pyrrolidin-2-one
CID 66108724
5-(3-propan-2-yloxyphenyl)pyrrolidine-3-carboxylic acid
CID 117376080
(3S,4R)-4-(4-chlorophenyl)pyrrolidine-3-carboxamide
CID 68794624
N-[[4-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-N-(2-methylpropyl)acetamide
CID 46071697
methyl (3S,4S)-4-(3-hydroxyphenyl)pyrrolidine-3-carboxylate
CID 129463071
methyl (3R,4S)-4-(3-methylphenyl)pyrrolidine-3-carboxylate
CID 53484902
4-(3-propan-2-yloxyphenyl)pyrrolidin-2-one
CID 66106950

Frequently Asked Questions

What is the IUPAC name of 4-(3-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of 4-(3-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide (CID 114487125) is 4-(3-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 4-(3-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 4-(3-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide is CC(C)Oc1cccc(C2CNCC2C(N)=O)c1.
What is the InChIKey of 4-(3-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide?
The InChIKey is MQYLCFRCMUEUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9(2)18-11-5-3-4-10(6-11)12-7-16-8-13(12)14(15)17/h3-6,9,12-13,16H,7-8H2,1-2H3,(H2,15,17).
What are the key properties of 4-(3-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide?
4-(3-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 114487125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).