(2S)-N-(3-ethoxyphenyl)pyrrolidine-2-carboxamide

C13H18N2O2 — CID 61179058

IUPAC(2S)-N-(3-ethoxyphenyl)pyrrolidine-2-carboxamide
SMILESCCOc1cccc(NC(=O)[C@@H]2CCCN2)c1
InChIInChI=1S/C13H18N2O2/c1-2-17-11-6-3-5-10(9-11)15-13(16)12-7-4-8-14-12/h3,5-6,9,12,14H,2,4,7-8H2,1H3,(H,15,16)/t12-/m0/s1
InChIKeyMDTOVTYMNPSVAF-LBPRGKRZSA-N
MW234.30 g/mol
LogP1.78
Rot. Bonds4

About (2S)-N-(3-ethoxyphenyl)pyrrolidine-2-carboxamide

(2S)-N-(3-ethoxyphenyl)pyrrolidine-2-carboxamide (PubChem CID 61179058) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (2S)-N-(3-ethoxyphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3-ethoxyphenyl)pyrrolidine-2-carboxamide
PubChem CID61179058
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name(2S)-N-(3-ethoxyphenyl)pyrrolidine-2-carboxamide
SMILESCCOc1cccc(NC(=O)[C@@H]2CCCN2)c1
InChIInChI=1S/C13H18N2O2/c1-2-17-11-6-3-5-10(9-11)15-13(16)12-7-4-8-14-12/h3,5-6,9,12,14H,2,4,7-8H2,1H3,(H,15,16)/t12-/m0/s1
InChIKeyMDTOVTYMNPSVAF-LBPRGKRZSA-N
XLogP1.78
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-N-(3-ethoxyphenyl)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

2-[3-(pyrrolidine-2-carbonylamino)phenoxy]acetic acid
CID 55243432
2-[3-[[(2S)-pyrrolidine-2-carbonyl]amino]phenoxy]acetic acid
CID 55243430
N-(3-propan-2-yloxyphenyl)pyrrolidine-2-carboxamide
CID 82044662
N-[3-(2-methylpropoxy)phenyl]piperidine-2-carboxamide
CID 60927108
N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]piperidine-2-carboxamide;hydrochloride
CID 119284224
(2R)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]piperidine-2-carboxamide
CID 103809015
N-[3-(2-fluoroethoxy)phenyl]piperidine-2-carboxamide
CID 119337980
(2R)-N-(3-methoxyphenyl)azepane-2-carboxamide
CID 124509646
N-[3-(2-methylsulfonylethoxy)phenyl]piperidine-2-carboxamide
CID 119312153
N-(3-ethoxyphenyl)-2-pyrrolidin-2-ylacetamide
CID 61363868
N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119872092
N-(3-aminophenyl)pyrrolidine-2-carboxamide
CID 110481304

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-ethoxyphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(3-ethoxyphenyl)pyrrolidine-2-carboxamide (CID 61179058) is (2S)-N-(3-ethoxyphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(3-ethoxyphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(3-ethoxyphenyl)pyrrolidine-2-carboxamide is CCOc1cccc(NC(=O)[C@@H]2CCCN2)c1.
What is the InChIKey of (2S)-N-(3-ethoxyphenyl)pyrrolidine-2-carboxamide?
The InChIKey is MDTOVTYMNPSVAF-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-2-17-11-6-3-5-10(9-11)15-13(16)12-7-4-8-14-12/h3,5-6,9,12,14H,2,4,7-8H2,1H3,(H,15,16)/t12-/m0/s1.
What are the key properties of (2S)-N-(3-ethoxyphenyl)pyrrolidine-2-carboxamide?
(2S)-N-(3-ethoxyphenyl)pyrrolidine-2-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-ethoxyphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 61179058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).