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

C14H20N2O2 — CID 63005428

IUPACN-[[2-(methoxymethyl)phenyl]methyl]pyrrolidine-3-carboxamide
SMILESCOCc1ccccc1CNC(=O)C1CCNC1
InChIInChI=1S/C14H20N2O2/c1-18-10-13-5-3-2-4-11(13)9-16-14(17)12-6-7-15-8-12/h2-5,12,15H,6-10H2,1H3,(H,16,17)
InChIKeyKKXZPNKBCRIBSF-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.06
Rot. Bonds5

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

N-[[2-(methoxymethyl)phenyl]methyl]pyrrolidine-3-carboxamide (PubChem CID 63005428) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[[2-(methoxymethyl)phenyl]methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(methoxymethyl)phenyl]methyl]pyrrolidine-3-carboxamide
PubChem CID63005428
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-[[2-(methoxymethyl)phenyl]methyl]pyrrolidine-3-carboxamide
SMILESCOCc1ccccc1CNC(=O)C1CCNC1
InChIInChI=1S/C14H20N2O2/c1-18-10-13-5-3-2-4-11(13)9-16-14(17)12-6-7-15-8-12/h2-5,12,15H,6-10H2,1H3,(H,16,17)
InChIKeyKKXZPNKBCRIBSF-UHFFFAOYSA-N
XLogP1.06
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(methoxymethyl)phenyl]methyl]-2-methylpiperidine-4-carboxamide
CID 106739192
N-[2-(methoxymethyl)phenyl]pyrrolidine-3-carboxamide
CID 63007076
N-(naphthalen-1-ylmethyl)pyrrolidine-3-carboxamide
CID 63006320
N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 119836564
N-[(2-fluorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119679710
(1R)-N-[[2-(methoxymethyl)phenyl]methyl]cyclohex-3-ene-1-carboxamide
CID 32601690
N-[(2-phenylmethoxyphenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119736957
(2S)-N-[[2-(methoxymethyl)phenyl]methyl]piperidine-2-carboxamide
CID 93359111
N-[[2-(methoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 60740965
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyrrolidine-3-carboxamide
CID 119895713
(3S)-N-benzylpyrrolidine-3-carboxamide
CID 94915415
(3S)-N-[[2-(hydroxymethyl)phenyl]methyl]piperidine-3-carboxamide
CID 124591380

Frequently Asked Questions

What is the IUPAC name of N-[[2-(methoxymethyl)phenyl]methyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[[2-(methoxymethyl)phenyl]methyl]pyrrolidine-3-carboxamide (CID 63005428) is N-[[2-(methoxymethyl)phenyl]methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[[2-(methoxymethyl)phenyl]methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[[2-(methoxymethyl)phenyl]methyl]pyrrolidine-3-carboxamide is COCc1ccccc1CNC(=O)C1CCNC1.
What is the InChIKey of N-[[2-(methoxymethyl)phenyl]methyl]pyrrolidine-3-carboxamide?
The InChIKey is KKXZPNKBCRIBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-18-10-13-5-3-2-4-11(13)9-16-14(17)12-6-7-15-8-12/h2-5,12,15H,6-10H2,1H3,(H,16,17).
What are the key properties of N-[[2-(methoxymethyl)phenyl]methyl]pyrrolidine-3-carboxamide?
N-[[2-(methoxymethyl)phenyl]methyl]pyrrolidine-3-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methoxymethyl)phenyl]methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 63005428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).