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

C11H22N2O2 — CID 166535880

IUPAC4-(3-pyrrolidin-1-ylpropoxy)butanamide
SMILESNC(=O)CCCOCCCN1CCCC1
InChIInChI=1S/C11H22N2O2/c12-11(14)5-3-9-15-10-4-8-13-6-1-2-7-13/h1-10H2,(H2,12,14)
InChIKeyROKCSHQKXWKYFH-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.75
Rot. Bonds8

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

4-(3-pyrrolidin-1-ylpropoxy)butanamide (PubChem CID 166535880) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-(3-pyrrolidin-1-ylpropoxy)butanamide.

Molecular Properties

Compound Name4-(3-pyrrolidin-1-ylpropoxy)butanamide
PubChem CID166535880
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name4-(3-pyrrolidin-1-ylpropoxy)butanamide
SMILESNC(=O)CCCOCCCN1CCCC1
InChIInChI=1S/C11H22N2O2/c12-11(14)5-3-9-15-10-4-8-13-6-1-2-7-13/h1-10H2,(H2,12,14)
InChIKeyROKCSHQKXWKYFH-UHFFFAOYSA-N
XLogP0.75
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.75
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

2-[5-(2-piperidin-1-ylethoxy)pentoxy]acetamide
CID 142368425
11-pyrrolidin-1-ylundecanamide
CID 175975624
3-[3-(azetidin-1-yl)propoxy]propanoic acid
CID 166535347
3-piperidin-1-ylpropyl hydrogen carbonate
CID 23210465
6-(2-morpholin-4-ylethoxy)hexanamide
CID 67176571
2-(3-pyrrolidin-1-ylpropylamino)oxyacetamide
CID 112673893
3-(3-pyrrolidin-1-ylpropylamino)propanamide
CID 60669793
1-[3-(2-ethoxyethoxy)propyl]pyrrolidine
CID 58400633
4-(4-methyl-1,4-diazepan-1-yl)butanamide
CID 175411586
4-(4-aminopiperidin-1-yl)butanamide
CID 118533814
5-(2-pyrrolidin-1-ylethoxy)pentan-1-amine
CID 62458957
ethane;N-methyl-5-[3-(2-piperidin-1-ylethoxy)propoxy]pentanamide
CID 142391107

Frequently Asked Questions

What is the IUPAC name of 4-(3-pyrrolidin-1-ylpropoxy)butanamide?
The IUPAC name of 4-(3-pyrrolidin-1-ylpropoxy)butanamide (CID 166535880) is 4-(3-pyrrolidin-1-ylpropoxy)butanamide.
What is the SMILES notation for 4-(3-pyrrolidin-1-ylpropoxy)butanamide?
The canonical SMILES for 4-(3-pyrrolidin-1-ylpropoxy)butanamide is NC(=O)CCCOCCCN1CCCC1.
What is the InChIKey of 4-(3-pyrrolidin-1-ylpropoxy)butanamide?
The InChIKey is ROKCSHQKXWKYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c12-11(14)5-3-9-15-10-4-8-13-6-1-2-7-13/h1-10H2,(H2,12,14).
What are the key properties of 4-(3-pyrrolidin-1-ylpropoxy)butanamide?
4-(3-pyrrolidin-1-ylpropoxy)butanamide has a molecular weight of 214.31 g/mol, XLogP of 0.75, 8 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)butanamide is sourced from PubChem (CID 166535880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).