2-(methylamino)-N-(3-pyrrolidin-1-ylphenyl)acetamide

C13H19N3O — CID 54862520

IUPAC2-(methylamino)-N-(3-pyrrolidin-1-ylphenyl)acetamide
SMILESCNCC(=O)Nc1cccc(N2CCCC2)c1
InChIInChI=1S/C13H19N3O/c1-14-10-13(17)15-11-5-4-6-12(9-11)16-7-2-3-8-16/h4-6,9,14H,2-3,7-8,10H2,1H3,(H,15,17)
InChIKeyNLHAEJWKIRMVLK-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.44
Rot. Bonds4

About 2-(methylamino)-N-(3-pyrrolidin-1-ylphenyl)acetamide

2-(methylamino)-N-(3-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 54862520) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(methylamino)-N-(3-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(methylamino)-N-(3-pyrrolidin-1-ylphenyl)acetamide
PubChem CID54862520
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-(methylamino)-N-(3-pyrrolidin-1-ylphenyl)acetamide
SMILESCNCC(=O)Nc1cccc(N2CCCC2)c1
InChIInChI=1S/C13H19N3O/c1-14-10-13(17)15-11-5-4-6-12(9-11)16-7-2-3-8-16/h4-6,9,14H,2-3,7-8,10H2,1H3,(H,15,17)
InChIKeyNLHAEJWKIRMVLK-UHFFFAOYSA-N
XLogP1.44
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(azepan-1-yl)phenyl]-2-(methylamino)acetamide;hydrochloride
CID 120704662
4-(methylamino)-N-(3-pyrrolidin-1-ylphenyl)butanamide
CID 54862533
2-(cyclopropylmethylamino)-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 60928462
N-[3-(azepan-1-yl)phenyl]-4-(methylamino)butanamide;dihydrochloride
CID 119892130
2-[[2-(methylamino)acetyl]amino]-N-(3-pyrrolidin-1-ylphenyl)hexanamide
CID 120704211
2-chloro-N-(3-piperidin-1-ylphenyl)acetamide
CID 43822445
2-amino-N-[3-(azepan-1-yl)phenyl]acetamide
CID 119892163
N-[3-(azepan-1-yl)phenyl]-2-(2-methoxyethylamino)acetamide
CID 119892181
N-[2-oxo-2-(3-pyrrolidin-1-ylanilino)ethyl]benzamide
CID 110667684
ethyl 4-oxo-4-(3-pyrrolidin-1-ylanilino)butanoate
CID 61062260
2-(methylamino)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 43704904
4-amino-N-[3-(azepan-1-yl)phenyl]pentanamide
CID 120565751

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-(3-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-(methylamino)-N-(3-pyrrolidin-1-ylphenyl)acetamide (CID 54862520) is 2-(methylamino)-N-(3-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(methylamino)-N-(3-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-(methylamino)-N-(3-pyrrolidin-1-ylphenyl)acetamide is CNCC(=O)Nc1cccc(N2CCCC2)c1.
What is the InChIKey of 2-(methylamino)-N-(3-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is NLHAEJWKIRMVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-14-10-13(17)15-11-5-4-6-12(9-11)16-7-2-3-8-16/h4-6,9,14H,2-3,7-8,10H2,1H3,(H,15,17).
What are the key properties of 2-(methylamino)-N-(3-pyrrolidin-1-ylphenyl)acetamide?
2-(methylamino)-N-(3-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 233.31 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-(3-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 54862520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).