2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-(2-methylphenyl)acetamide

C16H25N3O — CID 43180059

IUPAC2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-(2-methylphenyl)acetamide
SMILESCCN1CCCC1CNCC(=O)Nc1ccccc1C
InChIInChI=1S/C16H25N3O/c1-3-19-10-6-8-14(19)11-17-12-16(20)18-15-9-5-4-7-13(15)2/h4-5,7,9,14,17H,3,6,8,10-12H2,1-2H3,(H,18,20)
InChIKeyLGJBUBGVXVNEAP-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.01
Rot. Bonds6

About 2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-(2-methylphenyl)acetamide

2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-(2-methylphenyl)acetamide (PubChem CID 43180059) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-(2-methylphenyl)acetamide
PubChem CID43180059
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-(2-methylphenyl)acetamide
SMILESCCN1CCCC1CNCC(=O)Nc1ccccc1C
InChIInChI=1S/C16H25N3O/c1-3-19-10-6-8-14(19)11-17-12-16(20)18-15-9-5-4-7-13(15)2/h4-5,7,9,14,17H,3,6,8,10-12H2,1-2H3,(H,18,20)
InChIKeyLGJBUBGVXVNEAP-UHFFFAOYSA-N
XLogP2.01
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N'-(2-methylphenyl)oxamide
CID 7242428
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 62046547
1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[(2-methylphenyl)methyl]methanamine
CID 51627850
2-(2-ethylpiperidin-1-yl)-N-(2-methylphenyl)acetamide
CID 78787228
2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-methylacetamide
CID 43180041
N-benzyl-1-(1-ethylpyrrolidin-2-yl)methanamine;oxalic acid
CID 17053062
2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 4260642
N'-(2,6-dimethylphenyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]oxamide
CID 2205501
3-[2-(2-hydroxyethyl)piperidin-1-yl]-N-(2-methylphenyl)propanamide
CID 111476136
2-[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2098901
1-(2-benzylphenyl)-3-[(1-ethylpyrrolidin-2-yl)methyl]urea
CID 71876765
2-[(3-methylcyclopentyl)methylamino]-N-(2-methylphenyl)acetamide
CID 107412858

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-(2-methylphenyl)acetamide (CID 43180059) is 2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-(2-methylphenyl)acetamide is CCN1CCCC1CNCC(=O)Nc1ccccc1C.
What is the InChIKey of 2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-(2-methylphenyl)acetamide?
The InChIKey is LGJBUBGVXVNEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-19-10-6-8-14(19)11-17-12-16(20)18-15-9-5-4-7-13(15)2/h4-5,7,9,14,17H,3,6,8,10-12H2,1-2H3,(H,18,20).
What are the key properties of 2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-(2-methylphenyl)acetamide?
2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-(2-methylphenyl)acetamide has a molecular weight of 275.40 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 43180059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).