N-[3-[1-(pyrrolidin-2-ylmethylamino)ethyl]phenyl]acetamide

C15H23N3O — CID 106636742

IUPACN-[3-[1-(pyrrolidin-2-ylmethylamino)ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(C)NCC2CCCN2)c1
InChIInChI=1S/C15H23N3O/c1-11(17-10-15-7-4-8-16-15)13-5-3-6-14(9-13)18-12(2)19/h3,5-6,9,11,15-17H,4,7-8,10H2,1-2H3,(H,18,19)
InChIKeyPRLQUIJOTVUNHU-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.05
Rot. Bonds5

About N-[3-[1-(pyrrolidin-2-ylmethylamino)ethyl]phenyl]acetamide

N-[3-[1-(pyrrolidin-2-ylmethylamino)ethyl]phenyl]acetamide (PubChem CID 106636742) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[3-[1-(pyrrolidin-2-ylmethylamino)ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-(pyrrolidin-2-ylmethylamino)ethyl]phenyl]acetamide
PubChem CID106636742
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-[3-[1-(pyrrolidin-2-ylmethylamino)ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(C)NCC2CCCN2)c1
InChIInChI=1S/C15H23N3O/c1-11(17-10-15-7-4-8-16-15)13-5-3-6-14(9-13)18-12(2)19/h3,5-6,9,11,15-17H,4,7-8,10H2,1-2H3,(H,18,19)
InChIKeyPRLQUIJOTVUNHU-UHFFFAOYSA-N
XLogP2.05
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(3-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106638924
N-(3-propan-2-ylphenyl)-2-pyrrolidin-2-ylacetamide
CID 61372360
N-[3-[1-[(2,2-dimethylcyclopropyl)methylamino]ethyl]phenyl]acetamide
CID 103902115
(1S)-1-(3-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106638935
N-[3-[1-(1,4-diazabicyclo[2.2.2]octan-2-ylmethylamino)ethyl]phenyl]acetamide
CID 75441606
N-[3-[1-(but-2-ynylamino)ethyl]phenyl]acetamide
CID 62309945
N-[1-(3-acetamidophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 119936283
N-[1-(3-acetamidophenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936282
N-(3-acetamidophenyl)-2-piperidin-2-ylacetamide
CID 43151365
N-[3-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]acetamide;hydrochloride
CID 67804532
N-[1-(3-acetamidophenyl)ethyl]piperidine-3-carboxamide
CID 60981088
N-[3-(azepan-2-ylmethyl)phenyl]acetamide
CID 70141371

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(pyrrolidin-2-ylmethylamino)ethyl]phenyl]acetamide?
The IUPAC name of N-[3-[1-(pyrrolidin-2-ylmethylamino)ethyl]phenyl]acetamide (CID 106636742) is N-[3-[1-(pyrrolidin-2-ylmethylamino)ethyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-(pyrrolidin-2-ylmethylamino)ethyl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-(pyrrolidin-2-ylmethylamino)ethyl]phenyl]acetamide is CC(=O)Nc1cccc(C(C)NCC2CCCN2)c1.
What is the InChIKey of N-[3-[1-(pyrrolidin-2-ylmethylamino)ethyl]phenyl]acetamide?
The InChIKey is PRLQUIJOTVUNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11(17-10-15-7-4-8-16-15)13-5-3-6-14(9-13)18-12(2)19/h3,5-6,9,11,15-17H,4,7-8,10H2,1-2H3,(H,18,19).
What are the key properties of N-[3-[1-(pyrrolidin-2-ylmethylamino)ethyl]phenyl]acetamide?
N-[3-[1-(pyrrolidin-2-ylmethylamino)ethyl]phenyl]acetamide has a molecular weight of 261.37 g/mol, XLogP of 2.05, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(pyrrolidin-2-ylmethylamino)ethyl]phenyl]acetamide is sourced from PubChem (CID 106636742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).