N-[2-(methoxymethyl)phenyl]pyrrolidine-3-carboxamide

C13H18N2O2 — CID 63007076

IUPACN-[2-(methoxymethyl)phenyl]pyrrolidine-3-carboxamide
SMILESCOCc1ccccc1NC(=O)C1CCNC1
InChIInChI=1S/C13H18N2O2/c1-17-9-11-4-2-3-5-12(11)15-13(16)10-6-7-14-8-10/h2-5,10,14H,6-9H2,1H3,(H,15,16)
InChIKeyRGDBVSPHPZXSPP-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.38
Rot. Bonds4

About N-[2-(methoxymethyl)phenyl]pyrrolidine-3-carboxamide

N-[2-(methoxymethyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 63007076) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-[2-(methoxymethyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(methoxymethyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID63007076
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-[2-(methoxymethyl)phenyl]pyrrolidine-3-carboxamide
SMILESCOCc1ccccc1NC(=O)C1CCNC1
InChIInChI=1S/C13H18N2O2/c1-17-9-11-4-2-3-5-12(11)15-13(16)10-6-7-14-8-10/h2-5,10,14H,6-9H2,1H3,(H,15,16)
InChIKeyRGDBVSPHPZXSPP-UHFFFAOYSA-N
XLogP1.38
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 ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-N-[2-(methoxymethyl)phenyl]-2-methylpiperidine-4-carboxamide
CID 120622248
N-[[2-(methoxymethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 63005428
N-(2-methoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119670539
(3R)-N-(2-methylphenyl)pyrrolidine-3-carboxamide
CID 94915623
N-(2-ethylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119265832
N-[2-(phenoxymethyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119299182
N-[2-(methoxymethyl)phenyl]azepane-2-carboxamide
CID 64563598
(3R)-N-(2-fluorophenyl)pyrrolidine-3-carboxamide
CID 94915553
(3S)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]piperidine-3-carboxamide
CID 81124526
N-[2-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 63006645
N-(2-methylsulfanylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119674755
N-[2-(aminomethyl)phenyl]piperidine-4-carboxamide
CID 110482330

Frequently Asked Questions

What is the IUPAC name of N-[2-(methoxymethyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(methoxymethyl)phenyl]pyrrolidine-3-carboxamide (CID 63007076) is N-[2-(methoxymethyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(methoxymethyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(methoxymethyl)phenyl]pyrrolidine-3-carboxamide is COCc1ccccc1NC(=O)C1CCNC1.
What is the InChIKey of N-[2-(methoxymethyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is RGDBVSPHPZXSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-17-9-11-4-2-3-5-12(11)15-13(16)10-6-7-14-8-10/h2-5,10,14H,6-9H2,1H3,(H,15,16).
What are the key properties of N-[2-(methoxymethyl)phenyl]pyrrolidine-3-carboxamide?
N-[2-(methoxymethyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methoxymethyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 63007076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).