2-(3-amino-4-methylpyrrolidin-1-yl)-N-ethyl-N-(2-methylphenyl)acetamide

C16H25N3O — CID 103577314

IUPAC2-(3-amino-4-methylpyrrolidin-1-yl)-N-ethyl-N-(2-methylphenyl)acetamide
SMILESCCN(C(=O)CN1CC(C)C(N)C1)c1ccccc1C
InChIInChI=1S/C16H25N3O/c1-4-19(15-8-6-5-7-12(15)2)16(20)11-18-9-13(3)14(17)10-18/h5-8,13-14H,4,9-11,17H2,1-3H3
InChIKeyWFMFGFLYHVPNQZ-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.63
Rot. Bonds4

About 2-(3-amino-4-methylpyrrolidin-1-yl)-N-ethyl-N-(2-methylphenyl)acetamide

2-(3-amino-4-methylpyrrolidin-1-yl)-N-ethyl-N-(2-methylphenyl)acetamide (PubChem CID 103577314) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-(3-amino-4-methylpyrrolidin-1-yl)-N-ethyl-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-amino-4-methylpyrrolidin-1-yl)-N-ethyl-N-(2-methylphenyl)acetamide
PubChem CID103577314
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-(3-amino-4-methylpyrrolidin-1-yl)-N-ethyl-N-(2-methylphenyl)acetamide
SMILESCCN(C(=O)CN1CC(C)C(N)C1)c1ccccc1C
InChIInChI=1S/C16H25N3O/c1-4-19(15-8-6-5-7-12(15)2)16(20)11-18-9-13(3)14(17)10-18/h5-8,13-14H,4,9-11,17H2,1-3H3
InChIKeyWFMFGFLYHVPNQZ-UHFFFAOYSA-N
XLogP1.63
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-4-methylpyrrolidin-1-yl)-N-ethyl-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-(3-amino-4-methylpyrrolidin-1-yl)-N-ethyl-N-(2-methylphenyl)acetamide (CID 103577314) is 2-(3-amino-4-methylpyrrolidin-1-yl)-N-ethyl-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-(3-amino-4-methylpyrrolidin-1-yl)-N-ethyl-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-(3-amino-4-methylpyrrolidin-1-yl)-N-ethyl-N-(2-methylphenyl)acetamide is CCN(C(=O)CN1CC(C)C(N)C1)c1ccccc1C.
What is the InChIKey of 2-(3-amino-4-methylpyrrolidin-1-yl)-N-ethyl-N-(2-methylphenyl)acetamide?
The InChIKey is WFMFGFLYHVPNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-4-19(15-8-6-5-7-12(15)2)16(20)11-18-9-13(3)14(17)10-18/h5-8,13-14H,4,9-11,17H2,1-3H3.
What are the key properties of 2-(3-amino-4-methylpyrrolidin-1-yl)-N-ethyl-N-(2-methylphenyl)acetamide?
2-(3-amino-4-methylpyrrolidin-1-yl)-N-ethyl-N-(2-methylphenyl)acetamide has a molecular weight of 275.40 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-4-methylpyrrolidin-1-yl)-N-ethyl-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 103577314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).