N-ethyl-2-[(4-pyrrolidin-1-ylphenyl)methylamino]acetamide

C15H23N3O — CID 43777709

IUPACN-ethyl-2-[(4-pyrrolidin-1-ylphenyl)methylamino]acetamide
SMILESCCNC(=O)CNCc1ccc(N2CCCC2)cc1
InChIInChI=1S/C15H23N3O/c1-2-17-15(19)12-16-11-13-5-7-14(8-6-13)18-9-3-4-10-18/h5-8,16H,2-4,9-12H2,1H3,(H,17,19)
InChIKeyJLOWLOKECRRYBW-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.51
Rot. Bonds6

About N-ethyl-2-[(4-pyrrolidin-1-ylphenyl)methylamino]acetamide

N-ethyl-2-[(4-pyrrolidin-1-ylphenyl)methylamino]acetamide (PubChem CID 43777709) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-ethyl-2-[(4-pyrrolidin-1-ylphenyl)methylamino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[(4-pyrrolidin-1-ylphenyl)methylamino]acetamide
PubChem CID43777709
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-ethyl-2-[(4-pyrrolidin-1-ylphenyl)methylamino]acetamide
SMILESCCNC(=O)CNCc1ccc(N2CCCC2)cc1
InChIInChI=1S/C15H23N3O/c1-2-17-15(19)12-16-11-13-5-7-14(8-6-13)18-9-3-4-10-18/h5-8,16H,2-4,9-12H2,1H3,(H,17,19)
InChIKeyJLOWLOKECRRYBW-UHFFFAOYSA-N
XLogP1.51
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-[(4-piperidin-1-ylphenyl)methylamino]acetamide
CID 43398950
N-propyl-2-[(4-pyrrolidin-1-ylphenyl)methylamino]acetamide
CID 43777789
N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 22081058
ethyl 2-[(4-pyrrolidin-1-ylphenyl)methylamino]acetate
CID 54921268
N-ethyl-2-[(4-piperidin-1-ylphenyl)carbamoylamino]acetamide
CID 86986680
N-ethyl-2-[(2-pyrrolidin-1-ylphenyl)methylamino]acetamide
CID 43221678
2-bromo-N-[(4-piperidin-1-ylphenyl)methyl]prop-2-en-1-amine
CID 115614908
(E)-3-[4-(azepan-1-yl)phenyl]-N-[2-(ethylamino)-2-oxoethyl]prop-2-enamide
CID 9224931
2-[(4-ethoxyphenyl)methylamino]-N-ethylacetamide
CID 43398927
2-[[4-(diethylamino)phenyl]methylamino]-N-ethylacetamide
CID 43398896
N-[[4-(1-oxo-1,4-thiazinan-4-yl)phenyl]methyl]ethanamine
CID 54977464
N-[(4-piperidin-1-ylphenyl)methyl]butan-1-amine
CID 29042784

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(4-pyrrolidin-1-ylphenyl)methylamino]acetamide?
The IUPAC name of N-ethyl-2-[(4-pyrrolidin-1-ylphenyl)methylamino]acetamide (CID 43777709) is N-ethyl-2-[(4-pyrrolidin-1-ylphenyl)methylamino]acetamide.
What is the SMILES notation for N-ethyl-2-[(4-pyrrolidin-1-ylphenyl)methylamino]acetamide?
The canonical SMILES for N-ethyl-2-[(4-pyrrolidin-1-ylphenyl)methylamino]acetamide is CCNC(=O)CNCc1ccc(N2CCCC2)cc1.
What is the InChIKey of N-ethyl-2-[(4-pyrrolidin-1-ylphenyl)methylamino]acetamide?
The InChIKey is JLOWLOKECRRYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-2-17-15(19)12-16-11-13-5-7-14(8-6-13)18-9-3-4-10-18/h5-8,16H,2-4,9-12H2,1H3,(H,17,19).
What are the key properties of N-ethyl-2-[(4-pyrrolidin-1-ylphenyl)methylamino]acetamide?
N-ethyl-2-[(4-pyrrolidin-1-ylphenyl)methylamino]acetamide has a molecular weight of 261.37 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(4-pyrrolidin-1-ylphenyl)methylamino]acetamide is sourced from PubChem (CID 43777709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).