4-(pyrrolidin-3-ylmethoxymethyl)benzamide

C13H18N2O2 — CID 55064845

IUPAC4-(pyrrolidin-3-ylmethoxymethyl)benzamide
SMILESNC(=O)c1ccc(COCC2CCNC2)cc1
InChIInChI=1S/C13H18N2O2/c14-13(16)12-3-1-10(2-4-12)8-17-9-11-5-6-15-7-11/h1-4,11,15H,5-9H2,(H2,14,16)
InChIKeyOHEDZVNMVHYTLB-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.91
Rot. Bonds5

About 4-(pyrrolidin-3-ylmethoxymethyl)benzamide

4-(pyrrolidin-3-ylmethoxymethyl)benzamide (PubChem CID 55064845) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-(pyrrolidin-3-ylmethoxymethyl)benzamide.

Molecular Properties

Compound Name4-(pyrrolidin-3-ylmethoxymethyl)benzamide
PubChem CID55064845
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name4-(pyrrolidin-3-ylmethoxymethyl)benzamide
SMILESNC(=O)c1ccc(COCC2CCNC2)cc1
InChIInChI=1S/C13H18N2O2/c14-13(16)12-3-1-10(2-4-12)8-17-9-11-5-6-15-7-11/h1-4,11,15H,5-9H2,(H2,14,16)
InChIKeyOHEDZVNMVHYTLB-UHFFFAOYSA-N
XLogP0.91
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[[(3R)-pyrrolidin-3-yl]methoxymethyl]benzoate
CID 86321712
3-[(4-iodophenyl)methoxymethyl]pyrrolidine
CID 56830526
(3R)-3-(phenylmethoxymethyl)pyrrolidine
CID 26192483
3-(piperidin-3-ylmethoxymethyl)benzamide
CID 62340748
(3R)-3-[(4-methoxyphenyl)methoxymethyl]pyrrolidine
CID 86321821
(3S)-3-[(4-propan-2-ylphenyl)methoxymethyl]pyrrolidine
CID 86325447
methyl 4-(2-pyrrolidin-3-ylethoxymethyl)benzoate
CID 106940966
4-[(4-ethylphenyl)methoxymethyl]piperidine
CID 55060614
(3R)-3-[(4-methylphenyl)methoxymethyl]piperidine
CID 26190607
(3R)-3-[(4-bromophenyl)methoxymethyl]piperidine
CID 35754092
3-chloro-4-(2-pyrrolidin-3-ylethoxymethyl)benzamide
CID 102668901
4-[[methyl(pyrrolidin-3-yl)amino]methyl]benzamide
CID 63301451

Frequently Asked Questions

What is the IUPAC name of 4-(pyrrolidin-3-ylmethoxymethyl)benzamide?
The IUPAC name of 4-(pyrrolidin-3-ylmethoxymethyl)benzamide (CID 55064845) is 4-(pyrrolidin-3-ylmethoxymethyl)benzamide.
What is the SMILES notation for 4-(pyrrolidin-3-ylmethoxymethyl)benzamide?
The canonical SMILES for 4-(pyrrolidin-3-ylmethoxymethyl)benzamide is NC(=O)c1ccc(COCC2CCNC2)cc1.
What is the InChIKey of 4-(pyrrolidin-3-ylmethoxymethyl)benzamide?
The InChIKey is OHEDZVNMVHYTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c14-13(16)12-3-1-10(2-4-12)8-17-9-11-5-6-15-7-11/h1-4,11,15H,5-9H2,(H2,14,16).
What are the key properties of 4-(pyrrolidin-3-ylmethoxymethyl)benzamide?
4-(pyrrolidin-3-ylmethoxymethyl)benzamide has a molecular weight of 234.30 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyrrolidin-3-ylmethoxymethyl)benzamide is sourced from PubChem (CID 55064845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).