N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]acetamide

C15H22N2O — CID 142872622

IUPACN-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(CN2CCCC2)cc1
InChIInChI=1S/C15H22N2O/c1-13(18)16-9-8-14-4-6-15(7-5-14)12-17-10-2-3-11-17/h4-7H,2-3,8-12H2,1H3,(H,16,18)
InChIKeyNGXHVRSIJHUJIB-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.96
Rot. Bonds5

About N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]acetamide

N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]acetamide (PubChem CID 142872622) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]acetamide
PubChem CID142872622
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(CN2CCCC2)cc1
InChIInChI=1S/C15H22N2O/c1-13(18)16-9-8-14-4-6-15(7-5-14)12-17-10-2-3-11-17/h4-7H,2-3,8-12H2,1H3,(H,16,18)
InChIKeyNGXHVRSIJHUJIB-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]butanamide
CID 69182329
N-[2-(4-chlorophenyl)ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 94773934
4-pentyl-N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]benzamide
CID 23090890
N-[2-[4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]phenyl]ethyl]acetamide;hydrochloride
CID 174377053
N-[2-[4-[[4-[3-(aminomethyl)phenyl]piperazin-1-yl]methyl]phenyl]ethyl]acetamide
CID 174378709
N-[2-[4-[[4-(4-fluoro-2-propan-2-ylphenyl)piperazin-1-yl]methyl]phenyl]ethyl]acetamide;hydrochloride
CID 174378267
N-[2-[4-[[4-(2-bromo-4-fluorophenyl)piperazin-1-yl]methyl]phenyl]ethyl]acetamide
CID 174367800
4-(4-chlorophenyl)-N-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]benzamide
CID 11743571
N-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]propan-2-amine
CID 105346654
N-[2-(4-methylphenyl)ethyl]acetamide;hydrochloride
CID 67025739
N-[2-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methylamino]ethyl]acetamide
CID 70834106
[4-(4-bromophenyl)phenyl] N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]carbamate
CID 90758353

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]acetamide?
The IUPAC name of N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]acetamide (CID 142872622) is N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]acetamide.
What is the SMILES notation for N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]acetamide?
The canonical SMILES for N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]acetamide is CC(=O)NCCc1ccc(CN2CCCC2)cc1.
What is the InChIKey of N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]acetamide?
The InChIKey is NGXHVRSIJHUJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-13(18)16-9-8-14-4-6-15(7-5-14)12-17-10-2-3-11-17/h4-7H,2-3,8-12H2,1H3,(H,16,18).
What are the key properties of N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]acetamide?
N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]acetamide has a molecular weight of 246.35 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]acetamide is sourced from PubChem (CID 142872622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).