1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide

C14H20N2O2 — CID 117008187

IUPAC1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
SMILESCC(C)Oc1ccccc1N1CCC(C(N)=O)C1
InChIInChI=1S/C14H20N2O2/c1-10(2)18-13-6-4-3-5-12(13)16-8-7-11(9-16)14(15)17/h3-6,10-11H,7-9H2,1-2H3,(H2,15,17)
InChIKeyAFEBHOKKLOEJBH-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.79
Rot. Bonds4

About 1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide

1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide (PubChem CID 117008187) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
PubChem CID117008187
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
SMILESCC(C)Oc1ccccc1N1CCC(C(N)=O)C1
InChIInChI=1S/C14H20N2O2/c1-10(2)18-13-6-4-3-5-12(13)16-8-7-11(9-16)14(15)17/h3-6,10-11H,7-9H2,1-2H3,(H2,15,17)
InChIKeyAFEBHOKKLOEJBH-UHFFFAOYSA-N
XLogP1.79
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-propan-2-yloxyphenyl)azetidin-3-amine
CID 117002832
1-(3-hydroxy-2-methylphenyl)pyrrolidine-3-carboxamide
CID 86258408
1-(3-hydroxy-2-methoxyphenyl)pyrrolidine-3-carboxamide
CID 86258315
1-[2-[(1S)-1-aminoethyl]phenyl]piperidine-3-carboxamide
CID 78935941
N-cyclopropyl-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113077668
1-(2-chloro-3-hydroxyphenyl)pyrrolidine-3-carboxamide
CID 77230471
(2R)-2-(4-carbamoylpiperidin-1-yl)-2-(2-fluoro-6-propan-2-yloxyphenyl)acetic acid
CID 97191658
1-[1-(2-methoxyphenyl)pyrrolidin-3-yl]ethanamine
CID 83981947
(3S)-1-(2-acetyl-3-fluorophenyl)pyrrolidine-3-carboxamide
CID 94434168
1-[(2-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 119904478
3-amino-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-methylbutanamide;dihydrochloride
CID 120504219
1-(2-tert-butylphenyl)piperidine-4-carboxamide
CID 117008321

Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide (CID 117008187) is 1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide is CC(C)Oc1ccccc1N1CCC(C(N)=O)C1.
What is the InChIKey of 1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide?
The InChIKey is AFEBHOKKLOEJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10(2)18-13-6-4-3-5-12(13)16-8-7-11(9-16)14(15)17/h3-6,10-11H,7-9H2,1-2H3,(H2,15,17).
What are the key properties of 1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide?
1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 117008187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).