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

C14H20N2O2 — CID 82044662

IUPACN-(3-propan-2-yloxyphenyl)pyrrolidine-2-carboxamide
SMILESCC(C)Oc1cccc(NC(=O)C2CCCN2)c1
InChIInChI=1S/C14H20N2O2/c1-10(2)18-12-6-3-5-11(9-12)16-14(17)13-7-4-8-15-13/h3,5-6,9-10,13,15H,4,7-8H2,1-2H3,(H,16,17)
InChIKeySDIBSGFIHTUPBM-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.16
Rot. Bonds4

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

N-(3-propan-2-yloxyphenyl)pyrrolidine-2-carboxamide (PubChem CID 82044662) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(3-propan-2-yloxyphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-propan-2-yloxyphenyl)pyrrolidine-2-carboxamide
PubChem CID82044662
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-(3-propan-2-yloxyphenyl)pyrrolidine-2-carboxamide
SMILESCC(C)Oc1cccc(NC(=O)C2CCCN2)c1
InChIInChI=1S/C14H20N2O2/c1-10(2)18-12-6-3-5-11(9-12)16-14(17)13-7-4-8-15-13/h3,5-6,9-10,13,15H,4,7-8H2,1-2H3,(H,16,17)
InChIKeySDIBSGFIHTUPBM-UHFFFAOYSA-N
XLogP2.16
TPSA50.36 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 ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-propan-2-yloxyphenyl)pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-propan-2-yloxyphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119280457
(2S)-N-(3-ethoxyphenyl)pyrrolidine-2-carboxamide
CID 61179058
(2R)-N-(3-methoxyphenyl)azepane-2-carboxamide
CID 124509646
N-[3-(2-methylpropoxy)phenyl]piperidine-2-carboxamide
CID 60927108
2-[3-(pyrrolidine-2-carbonylamino)phenoxy]acetic acid
CID 55243432
2-[3-[[(2S)-pyrrolidine-2-carbonyl]amino]phenoxy]acetic acid
CID 55243430
N-(3-aminophenyl)pyrrolidine-2-carboxamide
CID 110481304
N-[3-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide
CID 43710007
N-[3-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119281759
(2R)-N-(2-propan-2-yloxyphenyl)pyrrolidine-2-carboxamide
CID 103795046
(2S)-N-(3-bromophenyl)pyrrolidine-2-carboxamide
CID 22691460
methyl N-[3-[[(2S)-piperidine-2-carbonyl]amino]phenyl]carbamate
CID 103809256

Frequently Asked Questions

What is the IUPAC name of N-(3-propan-2-yloxyphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(3-propan-2-yloxyphenyl)pyrrolidine-2-carboxamide (CID 82044662) is N-(3-propan-2-yloxyphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3-propan-2-yloxyphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(3-propan-2-yloxyphenyl)pyrrolidine-2-carboxamide is CC(C)Oc1cccc(NC(=O)C2CCCN2)c1.
What is the InChIKey of N-(3-propan-2-yloxyphenyl)pyrrolidine-2-carboxamide?
The InChIKey is SDIBSGFIHTUPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10(2)18-12-6-3-5-11(9-12)16-14(17)13-7-4-8-15-13/h3,5-6,9-10,13,15H,4,7-8H2,1-2H3,(H,16,17).
What are the key properties of N-(3-propan-2-yloxyphenyl)pyrrolidine-2-carboxamide?
N-(3-propan-2-yloxyphenyl)pyrrolidine-2-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propan-2-yloxyphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 82044662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).