2-amino-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-phenylpropanamide

C17H27N3O2 — CID 120596413

IUPAC2-amino-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-phenylpropanamide
SMILESCOCCN1CCCC1CNC(=O)C(C)(N)c1ccccc1
InChIInChI=1S/C17H27N3O2/c1-17(18,14-7-4-3-5-8-14)16(21)19-13-15-9-6-10-20(15)11-12-22-2/h3-5,7-8,15H,6,9-13,18H2,1-2H3,(H,19,21)
InChIKeyNVOIKQGBAQJOPM-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.09
Rot. Bonds7

About 2-amino-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-phenylpropanamide

2-amino-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-phenylpropanamide (PubChem CID 120596413) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-amino-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-phenylpropanamide
PubChem CID120596413
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name2-amino-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-phenylpropanamide
SMILESCOCCN1CCCC1CNC(=O)C(C)(N)c1ccccc1
InChIInChI=1S/C17H27N3O2/c1-17(18,14-7-4-3-5-8-14)16(21)19-13-15-9-6-10-20(15)11-12-22-2/h3-5,7-8,15H,6,9-13,18H2,1-2H3,(H,19,21)
InChIKeyNVOIKQGBAQJOPM-UHFFFAOYSA-N
XLogP1.09
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-phenylpropanamide?
The IUPAC name of 2-amino-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-phenylpropanamide (CID 120596413) is 2-amino-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-phenylpropanamide.
What is the SMILES notation for 2-amino-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-phenylpropanamide?
The canonical SMILES for 2-amino-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-phenylpropanamide is COCCN1CCCC1CNC(=O)C(C)(N)c1ccccc1.
What is the InChIKey of 2-amino-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-phenylpropanamide?
The InChIKey is NVOIKQGBAQJOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-17(18,14-7-4-3-5-8-14)16(21)19-13-15-9-6-10-20(15)11-12-22-2/h3-5,7-8,15H,6,9-13,18H2,1-2H3,(H,19,21).
What are the key properties of 2-amino-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-phenylpropanamide?
2-amino-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-phenylpropanamide has a molecular weight of 305.42 g/mol, XLogP of 1.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-phenylpropanamide is sourced from PubChem (CID 120596413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).