(2R)-N-(2-ethoxy-4-methylphenyl)pyrrolidine-2-carboxamide

C14H20N2O2 — CID 93360332

IUPAC(2R)-N-(2-ethoxy-4-methylphenyl)pyrrolidine-2-carboxamide
SMILESCCOc1cc(C)ccc1NC(=O)[C@H]1CCCN1
InChIInChI=1S/C14H20N2O2/c1-3-18-13-9-10(2)6-7-11(13)16-14(17)12-5-4-8-15-12/h6-7,9,12,15H,3-5,8H2,1-2H3,(H,16,17)/t12-/m1/s1
InChIKeyJWZGTRFAYBJNSG-GFCCVEGCSA-N
MW248.33 g/mol
LogP2.08
Rot. Bonds4

About (2R)-N-(2-ethoxy-4-methylphenyl)pyrrolidine-2-carboxamide

(2R)-N-(2-ethoxy-4-methylphenyl)pyrrolidine-2-carboxamide (PubChem CID 93360332) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (2R)-N-(2-ethoxy-4-methylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2-ethoxy-4-methylphenyl)pyrrolidine-2-carboxamide
PubChem CID93360332
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(2R)-N-(2-ethoxy-4-methylphenyl)pyrrolidine-2-carboxamide
SMILESCCOc1cc(C)ccc1NC(=O)[C@H]1CCCN1
InChIInChI=1S/C14H20N2O2/c1-3-18-13-9-10(2)6-7-11(13)16-14(17)12-5-4-8-15-12/h6-7,9,12,15H,3-5,8H2,1-2H3,(H,16,17)/t12-/m1/s1
InChIKeyJWZGTRFAYBJNSG-GFCCVEGCSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(2-methoxy-4-methylphenyl)pyrrolidine-2-carboxamide
CID 61178330
N-(4-methyl-2-propoxyphenyl)azepane-2-carboxamide
CID 64561866
N-(2-ethoxy-4-methylphenyl)-4-methylpiperidine-2-carboxamide
CID 114423253
N-(2-ethoxyphenyl)pyrrolidine-2-carboxamide
CID 18071495
N-(2-ethoxy-4-methylphenyl)thiomorpholine-3-carboxamide
CID 82908618
(2S)-N-(2-chloro-4-methylphenyl)pyrrolidine-2-carboxamide
CID 28881291
(2S)-N-(2-bromo-4-methylphenyl)pyrrolidine-2-carboxamide
CID 22691461
2-[(2-ethoxy-4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978084
(2S)-N-(2-chloro-5-methylphenyl)pyrrolidine-2-carboxamide
CID 103794561
(2R)-N-(3-ethoxy-4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 103795109
(2R)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)pyrrolidine-2-carboxamide
CID 103794323
(2R)-N-(3-chloro-4-ethoxyphenyl)piperidine-2-carboxamide
CID 93359932

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-ethoxy-4-methylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(2-ethoxy-4-methylphenyl)pyrrolidine-2-carboxamide (CID 93360332) is (2R)-N-(2-ethoxy-4-methylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(2-ethoxy-4-methylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(2-ethoxy-4-methylphenyl)pyrrolidine-2-carboxamide is CCOc1cc(C)ccc1NC(=O)[C@H]1CCCN1.
What is the InChIKey of (2R)-N-(2-ethoxy-4-methylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is JWZGTRFAYBJNSG-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-18-13-9-10(2)6-7-11(13)16-14(17)12-5-4-8-15-12/h6-7,9,12,15H,3-5,8H2,1-2H3,(H,16,17)/t12-/m1/s1.
What are the key properties of (2R)-N-(2-ethoxy-4-methylphenyl)pyrrolidine-2-carboxamide?
(2R)-N-(2-ethoxy-4-methylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-ethoxy-4-methylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 93360332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).