4-butoxy-N-(pyrrolidin-2-ylmethyl)benzamide

C16H24N2O2 — CID 62542341

IUPAC4-butoxy-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCCCCOc1ccc(C(=O)NCC2CCCN2)cc1
InChIInChI=1S/C16H24N2O2/c1-2-3-11-20-15-8-6-13(7-9-15)16(19)18-12-14-5-4-10-17-14/h6-9,14,17H,2-5,10-12H2,1H3,(H,18,19)
InChIKeyJIQIJPFZYNKJNZ-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.35
Rot. Bonds7

About 4-butoxy-N-(pyrrolidin-2-ylmethyl)benzamide

4-butoxy-N-(pyrrolidin-2-ylmethyl)benzamide (PubChem CID 62542341) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-butoxy-N-(pyrrolidin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-butoxy-N-(pyrrolidin-2-ylmethyl)benzamide
PubChem CID62542341
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name4-butoxy-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCCCCOc1ccc(C(=O)NCC2CCCN2)cc1
InChIInChI=1S/C16H24N2O2/c1-2-3-11-20-15-8-6-13(7-9-15)16(19)18-12-14-5-4-10-17-14/h6-9,14,17H,2-5,10-12H2,1H3,(H,18,19)
InChIKeyJIQIJPFZYNKJNZ-UHFFFAOYSA-N
XLogP2.35
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-pentoxy-N-(piperidin-3-ylmethyl)benzamide
CID 119463502
N-(piperidin-2-ylmethyl)-3-propoxybenzamide
CID 62919504
3-ethoxy-4-(2-phenoxyethoxy)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119514257
4-butoxy-3-chloro-5-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119513747
4-butoxy-3-chloro-5-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119513746
4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 126777122
3-ethoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119513246
N-[(2-ethylcyclopentyl)methyl]-4-hexoxybenzamide
CID 21361598
3-(4-methoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119510409
2-(4-ethoxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119509770
4-[3-oxo-3-(pyrrolidin-2-ylmethylamino)propoxy]benzamide;hydrochloride
CID 119511609
4-butoxy-N-cyclobutylbenzamide
CID 71449411

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-(pyrrolidin-2-ylmethyl)benzamide?
The IUPAC name of 4-butoxy-N-(pyrrolidin-2-ylmethyl)benzamide (CID 62542341) is 4-butoxy-N-(pyrrolidin-2-ylmethyl)benzamide.
What is the SMILES notation for 4-butoxy-N-(pyrrolidin-2-ylmethyl)benzamide?
The canonical SMILES for 4-butoxy-N-(pyrrolidin-2-ylmethyl)benzamide is CCCCOc1ccc(C(=O)NCC2CCCN2)cc1.
What is the InChIKey of 4-butoxy-N-(pyrrolidin-2-ylmethyl)benzamide?
The InChIKey is JIQIJPFZYNKJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-3-11-20-15-8-6-13(7-9-15)16(19)18-12-14-5-4-10-17-14/h6-9,14,17H,2-5,10-12H2,1H3,(H,18,19).
What are the key properties of 4-butoxy-N-(pyrrolidin-2-ylmethyl)benzamide?
4-butoxy-N-(pyrrolidin-2-ylmethyl)benzamide has a molecular weight of 276.38 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-(pyrrolidin-2-ylmethyl)benzamide is sourced from PubChem (CID 62542341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).