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

C13H18N2O2 — CID 18071495

IUPACN-(2-ethoxyphenyl)pyrrolidine-2-carboxamide
SMILESCCOc1ccccc1NC(=O)C1CCCN1
InChIInChI=1S/C13H18N2O2/c1-2-17-12-8-4-3-6-10(12)15-13(16)11-7-5-9-14-11/h3-4,6,8,11,14H,2,5,7,9H2,1H3,(H,15,16)
InChIKeyKTUKBMHKKBHOKN-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.78
Rot. Bonds4

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

N-(2-ethoxyphenyl)pyrrolidine-2-carboxamide (PubChem CID 18071495) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)pyrrolidine-2-carboxamide
PubChem CID18071495
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-(2-ethoxyphenyl)pyrrolidine-2-carboxamide
SMILESCCOc1ccccc1NC(=O)C1CCCN1
InChIInChI=1S/C13H18N2O2/c1-2-17-12-8-4-3-6-10(12)15-13(16)11-7-5-9-14-11/h3-4,6,8,11,14H,2,5,7,9H2,1H3,(H,15,16)
InChIKeyKTUKBMHKKBHOKN-UHFFFAOYSA-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

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Related Compounds

(2R)-N-[2-(2-methylpropoxy)phenyl]pyrrolidine-2-carboxamide
CID 93360502
2-[2-[[(2R)-pyrrolidine-2-carbonyl]amino]phenoxy]acetic acid
CID 104901156
(2R)-N-(2-ethoxy-4-methylphenyl)pyrrolidine-2-carboxamide
CID 93360332
(2R)-N-(2-propan-2-yloxyphenyl)pyrrolidine-2-carboxamide
CID 103795046
N-(2-ethoxyphenyl)piperidine-3-carboxamide
CID 18072790
N-[2-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide
CID 18072094
(2R)-N-[3-methoxy-2-[2-methoxy-6-[[(2R)-pyrrolidine-2-carbonyl]amino]phenyl]phenyl]pyrrolidine-2-carboxamide
CID 102160795
(2S)-N-(3-ethoxyphenyl)pyrrolidine-2-carboxamide
CID 61179058
N-(2-ethoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 24703621
N-(2-phenoxyphenyl)piperidine-2-carboxamide
CID 18071902
ethyl 2-[[(2R)-piperidine-2-carbonyl]amino]benzoate
CID 104913687
N-(2-ethoxyphenyl)-5-oxopiperazine-2-carboxamide
CID 107433395

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)pyrrolidine-2-carboxamide (CID 18071495) is N-(2-ethoxyphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)pyrrolidine-2-carboxamide is CCOc1ccccc1NC(=O)C1CCCN1.
What is the InChIKey of N-(2-ethoxyphenyl)pyrrolidine-2-carboxamide?
The InChIKey is KTUKBMHKKBHOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-2-17-12-8-4-3-6-10(12)15-13(16)11-7-5-9-14-11/h3-4,6,8,11,14H,2,5,7,9H2,1H3,(H,15,16).
What are the key properties of N-(2-ethoxyphenyl)pyrrolidine-2-carboxamide?
N-(2-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 N-(2-ethoxyphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 18071495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).