N-(2-aminophenyl)-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]acetamide

C15H24N4O — CID 81463910

IUPACN-(2-aminophenyl)-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]acetamide
SMILESCC1CN(CC(=O)Nc2ccccc2N)CC1N(C)C
InChIInChI=1S/C15H24N4O/c1-11-8-19(9-14(11)18(2)3)10-15(20)17-13-7-5-4-6-12(13)16/h4-7,11,14H,8-10,16H2,1-3H3,(H,17,20)
InChIKeyGEXKPMGXALEBQI-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.09
Rot. Bonds4

About N-(2-aminophenyl)-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]acetamide

N-(2-aminophenyl)-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]acetamide (PubChem CID 81463910) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(2-aminophenyl)-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]acetamide
PubChem CID81463910
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC NameN-(2-aminophenyl)-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]acetamide
SMILESCC1CN(CC(=O)Nc2ccccc2N)CC1N(C)C
InChIInChI=1S/C15H24N4O/c1-11-8-19(9-14(11)18(2)3)10-15(20)17-13-7-5-4-6-12(13)16/h4-7,11,14H,8-10,16H2,1-3H3,(H,17,20)
InChIKeyGEXKPMGXALEBQI-UHFFFAOYSA-N
XLogP1.09
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-4-methylphenyl)-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]acetamide
CID 81452037
N-(2-aminophenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 66393018
1-(2,6-difluorophenyl)-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethanone
CID 81475274
N-(2-aminophenyl)-2-(4-tert-butylpiperazin-1-yl)acetamide
CID 61430147
2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethanethioamide
CID 81465494
N-(2-aminophenyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 18069905
N-(5-amino-2-methylphenyl)-2-(3,4-dimethylpyrrolidin-1-yl)acetamide
CID 79189234
N-(4-amino-2-methylphenyl)-2-(3,4-dimethylpyrrolidin-1-yl)acetamide
CID 79181994
methyl 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-phenylpropanoate
CID 81452459
2-(4-amino-3-methylpiperidin-1-yl)-N-(2-fluorophenyl)acetamide;hydrochloride
CID 119925182
N-(2-aminophenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]acetamide
CID 107227195
2-(3-amino-4-methylpyrrolidin-1-yl)-N-phenylacetamide
CID 103576964

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]acetamide?
The IUPAC name of N-(2-aminophenyl)-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]acetamide (CID 81463910) is N-(2-aminophenyl)-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(2-aminophenyl)-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(2-aminophenyl)-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]acetamide is CC1CN(CC(=O)Nc2ccccc2N)CC1N(C)C.
What is the InChIKey of N-(2-aminophenyl)-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]acetamide?
The InChIKey is GEXKPMGXALEBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-11-8-19(9-14(11)18(2)3)10-15(20)17-13-7-5-4-6-12(13)16/h4-7,11,14H,8-10,16H2,1-3H3,(H,17,20).
What are the key properties of N-(2-aminophenyl)-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]acetamide?
N-(2-aminophenyl)-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]acetamide has a molecular weight of 276.38 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]acetamide is sourced from PubChem (CID 81463910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).