4-butoxy-N-(1-pyrrolidin-3-ylethyl)benzamide

C17H26N2O2 — CID 103977142

IUPAC4-butoxy-N-(1-pyrrolidin-3-ylethyl)benzamide
SMILESCCCCOc1ccc(C(=O)NC(C)C2CCNC2)cc1
InChIInChI=1S/C17H26N2O2/c1-3-4-11-21-16-7-5-14(6-8-16)17(20)19-13(2)15-9-10-18-12-15/h5-8,13,15,18H,3-4,9-12H2,1-2H3,(H,19,20)
InChIKeyGFZZLBCBAOYERJ-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.59
Rot. Bonds7

About 4-butoxy-N-(1-pyrrolidin-3-ylethyl)benzamide

4-butoxy-N-(1-pyrrolidin-3-ylethyl)benzamide (PubChem CID 103977142) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-butoxy-N-(1-pyrrolidin-3-ylethyl)benzamide.

Molecular Properties

Compound Name4-butoxy-N-(1-pyrrolidin-3-ylethyl)benzamide
PubChem CID103977142
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name4-butoxy-N-(1-pyrrolidin-3-ylethyl)benzamide
SMILESCCCCOc1ccc(C(=O)NC(C)C2CCNC2)cc1
InChIInChI=1S/C17H26N2O2/c1-3-4-11-21-16-7-5-14(6-8-16)17(20)19-13(2)15-9-10-18-12-15/h5-8,13,15,18H,3-4,9-12H2,1-2H3,(H,19,20)
InChIKeyGFZZLBCBAOYERJ-UHFFFAOYSA-N
XLogP2.59
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.59
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-(4-fluorophenoxy)-N-(1-pyrrolidin-3-ylethyl)benzamide
CID 167775279
4-(difluoromethoxy)-N-(1-pyrrolidin-3-ylethyl)benzamide
CID 103977231
N-(1-pyrrolidin-3-ylethyl)benzamide
CID 103977078
4-pentoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453192
4-butoxy-N-(1-pyrrolidin-3-ylpropyl)benzenecarbothioamide
CID 21151413
4-phenylmethoxy-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119473948
2-[(4-butoxybenzoyl)amino]-2-cyclopropylacetic acid
CID 62695518
4-butoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534630
3,4-difluoro-N-(1-pyrrolidin-3-ylethyl)benzamide
CID 113360884
4-pentoxy-N-(piperidin-3-ylmethyl)benzamide
CID 119463502
N-(1-piperidin-3-ylethyl)pyridine-4-carboxamide
CID 62032705
4-butoxy-N-cyclobutylbenzamide
CID 71449411

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-(1-pyrrolidin-3-ylethyl)benzamide?
The IUPAC name of 4-butoxy-N-(1-pyrrolidin-3-ylethyl)benzamide (CID 103977142) is 4-butoxy-N-(1-pyrrolidin-3-ylethyl)benzamide.
What is the SMILES notation for 4-butoxy-N-(1-pyrrolidin-3-ylethyl)benzamide?
The canonical SMILES for 4-butoxy-N-(1-pyrrolidin-3-ylethyl)benzamide is CCCCOc1ccc(C(=O)NC(C)C2CCNC2)cc1.
What is the InChIKey of 4-butoxy-N-(1-pyrrolidin-3-ylethyl)benzamide?
The InChIKey is GFZZLBCBAOYERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-4-11-21-16-7-5-14(6-8-16)17(20)19-13(2)15-9-10-18-12-15/h5-8,13,15,18H,3-4,9-12H2,1-2H3,(H,19,20).
What are the key properties of 4-butoxy-N-(1-pyrrolidin-3-ylethyl)benzamide?
4-butoxy-N-(1-pyrrolidin-3-ylethyl)benzamide has a molecular weight of 290.41 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-(1-pyrrolidin-3-ylethyl)benzamide is sourced from PubChem (CID 103977142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).