4-(2-pyrrolidin-1-ylethoxy)benzamide

C13H18N2O2 — CID 22137456

IUPAC4-(2-pyrrolidin-1-ylethoxy)benzamide
SMILESNC(=O)c1ccc(OCCN2CCCC2)cc1
InChIInChI=1S/C13H18N2O2/c14-13(16)11-3-5-12(6-4-11)17-10-9-15-7-1-2-8-15/h3-6H,1-2,7-10H2,(H2,14,16)
InChIKeyVWPWXJXCXPVNKE-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.26
Rot. Bonds5

About 4-(2-pyrrolidin-1-ylethoxy)benzamide

4-(2-pyrrolidin-1-ylethoxy)benzamide (PubChem CID 22137456) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-(2-pyrrolidin-1-ylethoxy)benzamide.

Molecular Properties

Compound Name4-(2-pyrrolidin-1-ylethoxy)benzamide
PubChem CID22137456
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name4-(2-pyrrolidin-1-ylethoxy)benzamide
SMILESNC(=O)c1ccc(OCCN2CCCC2)cc1
InChIInChI=1S/C13H18N2O2/c14-13(16)11-3-5-12(6-4-11)17-10-9-15-7-1-2-8-15/h3-6H,1-2,7-10H2,(H2,14,16)
InChIKeyVWPWXJXCXPVNKE-UHFFFAOYSA-N
XLogP1.26
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(azepan-1-yl)ethoxy]benzamide
CID 147487835
4-(3-pyrrolidin-1-ylpropoxy)benzamide
CID 91431700
4-(2-morpholin-4-ylethoxy)benzamide
CID 35813066
4-(2-pyrrolidin-1-ylethoxy)benzohydrazide
CID 63570602
ethane;4-(2-piperidin-1-ylethoxy)benzoic acid
CID 142014809
4-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]benzoic acid
CID 18678227
4-[4-(2-piperidin-1-ylethoxy)phenyl]benzoic acid
CID 19085087
4-[[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]methyl]benzamide
CID 34704521
1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]prop-2-en-1-one
CID 140994444
4-[2-(azepan-1-yl)ethoxy]-N'-hydroxybenzenecarboximidamide
CID 61301567
4-[[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methyl]benzamide
CID 30737845
2-hydroxy-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]acetamide
CID 139930605

Frequently Asked Questions

What is the IUPAC name of 4-(2-pyrrolidin-1-ylethoxy)benzamide?
The IUPAC name of 4-(2-pyrrolidin-1-ylethoxy)benzamide (CID 22137456) is 4-(2-pyrrolidin-1-ylethoxy)benzamide.
What is the SMILES notation for 4-(2-pyrrolidin-1-ylethoxy)benzamide?
The canonical SMILES for 4-(2-pyrrolidin-1-ylethoxy)benzamide is NC(=O)c1ccc(OCCN2CCCC2)cc1.
What is the InChIKey of 4-(2-pyrrolidin-1-ylethoxy)benzamide?
The InChIKey is VWPWXJXCXPVNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c14-13(16)11-3-5-12(6-4-11)17-10-9-15-7-1-2-8-15/h3-6H,1-2,7-10H2,(H2,14,16).
What are the key properties of 4-(2-pyrrolidin-1-ylethoxy)benzamide?
4-(2-pyrrolidin-1-ylethoxy)benzamide has a molecular weight of 234.30 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyrrolidin-1-ylethoxy)benzamide is sourced from PubChem (CID 22137456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).