3-(phenylmethoxymethyl)pyrrolidine-1-carboxamide

C13H18N2O2 — CID 130818239

IUPAC3-(phenylmethoxymethyl)pyrrolidine-1-carboxamide
SMILESNC(=O)N1CCC(COCc2ccccc2)C1
InChIInChI=1S/C13H18N2O2/c14-13(16)15-7-6-12(8-15)10-17-9-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H2,14,16)
InChIKeyFSMXQHHAAINXMC-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.60
Rot. Bonds4

About 3-(phenylmethoxymethyl)pyrrolidine-1-carboxamide

3-(phenylmethoxymethyl)pyrrolidine-1-carboxamide (PubChem CID 130818239) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-(phenylmethoxymethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(phenylmethoxymethyl)pyrrolidine-1-carboxamide
PubChem CID130818239
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name3-(phenylmethoxymethyl)pyrrolidine-1-carboxamide
SMILESNC(=O)N1CCC(COCc2ccccc2)C1
InChIInChI=1S/C13H18N2O2/c14-13(16)15-7-6-12(8-15)10-17-9-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H2,14,16)
InChIKeyFSMXQHHAAINXMC-UHFFFAOYSA-N
XLogP1.60
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,2S)-2-[(3S)-3-(phenylmethoxymethyl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 125132640
2-amino-3-methoxy-1-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]propan-1-one
CID 120991036
[(1S,2R)-2-aminocyclopentyl]-[(3R)-3-(phenylmethoxymethyl)pyrrolidin-1-yl]methanone
CID 124699470
5-[3-(phenylmethoxymethyl)pyrrolidine-1-carbonyl]thiophene-2-carboxylic acid
CID 119186829
[3-(phenylmethoxymethyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone
CID 119336604
4-[3-oxo-3-[(3S)-3-(phenylmethoxymethyl)pyrrolidin-1-yl]propyl]benzoic acid
CID 124702768
4-[3-oxo-3-[(3R)-3-(phenylmethoxymethyl)pyrrolidin-1-yl]propyl]benzoic acid
CID 124702763
2-(1-hydroxycyclohexyl)-1-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]ethanone
CID 111540560
[3-(phenylmethoxymethyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone
CID 119336588
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 120795169
(3-chloro-4-hydroxyphenyl)-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]methanone
CID 122149684
[3-(phenylmethoxymethyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone;hydrochloride
CID 119336587

Frequently Asked Questions

What is the IUPAC name of 3-(phenylmethoxymethyl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-(phenylmethoxymethyl)pyrrolidine-1-carboxamide (CID 130818239) is 3-(phenylmethoxymethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(phenylmethoxymethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(phenylmethoxymethyl)pyrrolidine-1-carboxamide is NC(=O)N1CCC(COCc2ccccc2)C1.
What is the InChIKey of 3-(phenylmethoxymethyl)pyrrolidine-1-carboxamide?
The InChIKey is FSMXQHHAAINXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c14-13(16)15-7-6-12(8-15)10-17-9-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H2,14,16).
What are the key properties of 3-(phenylmethoxymethyl)pyrrolidine-1-carboxamide?
3-(phenylmethoxymethyl)pyrrolidine-1-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(phenylmethoxymethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 130818239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).