4-(3-pyrrolidin-1-ylpropoxy)benzamide

C14H20N2O2 — CID 91431700

IUPAC4-(3-pyrrolidin-1-ylpropoxy)benzamide
SMILESNC(=O)c1ccc(OCCCN2CCCC2)cc1
InChIInChI=1S/C14H20N2O2/c15-14(17)12-4-6-13(7-5-12)18-11-3-10-16-8-1-2-9-16/h4-7H,1-3,8-11H2,(H2,15,17)
InChIKeyWEZDWNRULCNPAQ-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.65
Rot. Bonds6

About 4-(3-pyrrolidin-1-ylpropoxy)benzamide

4-(3-pyrrolidin-1-ylpropoxy)benzamide (PubChem CID 91431700) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-(3-pyrrolidin-1-ylpropoxy)benzamide.

Molecular Properties

Compound Name4-(3-pyrrolidin-1-ylpropoxy)benzamide
PubChem CID91431700
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name4-(3-pyrrolidin-1-ylpropoxy)benzamide
SMILESNC(=O)c1ccc(OCCCN2CCCC2)cc1
InChIInChI=1S/C14H20N2O2/c15-14(17)12-4-6-13(7-5-12)18-11-3-10-16-8-1-2-9-16/h4-7H,1-3,8-11H2,(H2,15,17)
InChIKeyWEZDWNRULCNPAQ-UHFFFAOYSA-N
XLogP1.65
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 22137456
4-[2-(azepan-1-yl)ethoxy]benzamide
CID 147487835
4-[3-(4-cyclopentyl-1,4-diazepan-1-yl)propoxy]benzamide
CID 134700418
2-[4-(3-piperidin-1-ylpropoxy)phenyl]acetamide
CID 68784634
4-(2-morpholin-4-ylethoxy)benzamide
CID 35813066
oxalic acid;1-[3-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]phenoxy]propyl]piperidine
CID 11949666
oxalic acid;1-[4-(4-pyrrolidin-1-ylbutoxy)phenyl]ethanone
CID 2950389
1,3-bis[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-one
CID 73346061
1-[3-(4-carbamoylphenoxy)propyl]piperidine-2-carboxylic acid
CID 122562043
4-[3-(7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecan-3-yl)propoxy]benzamide
CID 91837813
4-(2-pyrrolidin-1-ylethoxy)benzohydrazide
CID 63570602
2-[4-(3-piperidin-1-ylpropoxy)phenyl]-3H-benzimidazole-5-carboxamide
CID 11538128

Frequently Asked Questions

What is the IUPAC name of 4-(3-pyrrolidin-1-ylpropoxy)benzamide?
The IUPAC name of 4-(3-pyrrolidin-1-ylpropoxy)benzamide (CID 91431700) is 4-(3-pyrrolidin-1-ylpropoxy)benzamide.
What is the SMILES notation for 4-(3-pyrrolidin-1-ylpropoxy)benzamide?
The canonical SMILES for 4-(3-pyrrolidin-1-ylpropoxy)benzamide is NC(=O)c1ccc(OCCCN2CCCC2)cc1.
What is the InChIKey of 4-(3-pyrrolidin-1-ylpropoxy)benzamide?
The InChIKey is WEZDWNRULCNPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c15-14(17)12-4-6-13(7-5-12)18-11-3-10-16-8-1-2-9-16/h4-7H,1-3,8-11H2,(H2,15,17).
What are the key properties of 4-(3-pyrrolidin-1-ylpropoxy)benzamide?
4-(3-pyrrolidin-1-ylpropoxy)benzamide has a molecular weight of 248.33 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-pyrrolidin-1-ylpropoxy)benzamide is sourced from PubChem (CID 91431700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).