N-[3-(pyrrolidin-1-ylmethyl)phenyl]butanamide

C15H22N2O — CID 60755428

IUPACN-[3-(pyrrolidin-1-ylmethyl)phenyl]butanamide
SMILESCCCC(=O)Nc1cccc(CN2CCCC2)c1
InChIInChI=1S/C15H22N2O/c1-2-6-15(18)16-14-8-5-7-13(11-14)12-17-9-3-4-10-17/h5,7-8,11H,2-4,6,9-10,12H2,1H3,(H,16,18)
InChIKeyKMYXOZKNKQLLEX-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.02
Rot. Bonds5

About N-[3-(pyrrolidin-1-ylmethyl)phenyl]butanamide

N-[3-(pyrrolidin-1-ylmethyl)phenyl]butanamide (PubChem CID 60755428) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-[3-(pyrrolidin-1-ylmethyl)phenyl]butanamide.

Molecular Properties

Compound NameN-[3-(pyrrolidin-1-ylmethyl)phenyl]butanamide
PubChem CID60755428
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-[3-(pyrrolidin-1-ylmethyl)phenyl]butanamide
SMILESCCCC(=O)Nc1cccc(CN2CCCC2)c1
InChIInChI=1S/C15H22N2O/c1-2-6-15(18)16-14-8-5-7-13(11-14)12-17-9-3-4-10-17/h5,7-8,11H,2-4,6,9-10,12H2,1H3,(H,16,18)
InChIKeyKMYXOZKNKQLLEX-UHFFFAOYSA-N
XLogP3.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(azepan-1-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 131936661
2-(methylamino)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 43704904
4-(methylamino)-N-[3-(piperidin-1-ylmethyl)phenyl]butanamide;dihydrochloride
CID 119852953
3-pyrazol-1-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 46339350
N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]octanamide
CID 60580118
3-(1-methylpyrazol-4-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 131933215
2-[2-oxo-2-[3-(pyrrolidin-1-ylmethyl)anilino]ethoxy]acetic acid
CID 61326883
N-[3-(pyrrolidin-1-ylmethyl)phenyl]-3-(4-sulfamoylphenyl)propanamide
CID 46410718
3-(benzenesulfonamido)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 46417093
tert-butyl N-[3-(pyrrolidin-1-ylmethyl)phenyl]carbamate
CID 65142881
4-amino-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]butanamide
CID 119902624
2-methyl-N-[2-oxo-2-[3-(pyrrolidin-1-ylmethyl)anilino]ethyl]benzamide
CID 46417268

Frequently Asked Questions

What is the IUPAC name of N-[3-(pyrrolidin-1-ylmethyl)phenyl]butanamide?
The IUPAC name of N-[3-(pyrrolidin-1-ylmethyl)phenyl]butanamide (CID 60755428) is N-[3-(pyrrolidin-1-ylmethyl)phenyl]butanamide.
What is the SMILES notation for N-[3-(pyrrolidin-1-ylmethyl)phenyl]butanamide?
The canonical SMILES for N-[3-(pyrrolidin-1-ylmethyl)phenyl]butanamide is CCCC(=O)Nc1cccc(CN2CCCC2)c1.
What is the InChIKey of N-[3-(pyrrolidin-1-ylmethyl)phenyl]butanamide?
The InChIKey is KMYXOZKNKQLLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-2-6-15(18)16-14-8-5-7-13(11-14)12-17-9-3-4-10-17/h5,7-8,11H,2-4,6,9-10,12H2,1H3,(H,16,18).
What are the key properties of N-[3-(pyrrolidin-1-ylmethyl)phenyl]butanamide?
N-[3-(pyrrolidin-1-ylmethyl)phenyl]butanamide has a molecular weight of 246.35 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(pyrrolidin-1-ylmethyl)phenyl]butanamide is sourced from PubChem (CID 60755428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).