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

C16H26N4O — CID 81452037

IUPACN-(2-amino-4-methylphenyl)-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]acetamide
SMILESCc1ccc(NC(=O)CN2CC(C)C(N(C)C)C2)c(N)c1
InChIInChI=1S/C16H26N4O/c1-11-5-6-14(13(17)7-11)18-16(21)10-20-8-12(2)15(9-20)19(3)4/h5-7,12,15H,8-10,17H2,1-4H3,(H,18,21)
InChIKeyQKWJEOJAMOGUOR-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.40
Rot. Bonds4

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

N-(2-amino-4-methylphenyl)-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]acetamide (PubChem CID 81452037) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N-(2-amino-4-methylphenyl)-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-amino-4-methylphenyl)-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]acetamide
PubChem CID81452037
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN-(2-amino-4-methylphenyl)-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]acetamide
SMILESCc1ccc(NC(=O)CN2CC(C)C(N(C)C)C2)c(N)c1
InChIInChI=1S/C16H26N4O/c1-11-5-6-14(13(17)7-11)18-16(21)10-20-8-12(2)15(9-20)19(3)4/h5-7,12,15H,8-10,17H2,1-4H3,(H,18,21)
InChIKeyQKWJEOJAMOGUOR-UHFFFAOYSA-N
XLogP1.40
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.40
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-aminophenyl)-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]acetamide
CID 81463910
N-(2-amino-4-methylphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 66391472
N-(4-amino-2-methylphenyl)-2-(3,4-dimethylpyrrolidin-1-yl)acetamide
CID 79181994
2-(3-amino-4-methylpyrrolidin-1-yl)-N-(2,4-dimethylphenyl)acetamide
CID 103576767
N-(2-amino-4-methylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)acetamide
CID 103505292
N-(5-amino-2-methylphenyl)-2-(3,4-dimethylpyrrolidin-1-yl)acetamide
CID 79189234
N-(2-amino-4-methylphenyl)-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 43375794
N-(2-amino-4-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 28867092
N-(2-amino-4-methylphenyl)-2-(2-methyl-3-oxopiperazin-1-yl)acetamide
CID 63596286
2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)ethanone
CID 81465416
N-(2-amino-4-methylphenyl)-2-(3,5-dioxomorpholin-4-yl)acetamide
CID 61311165
2-(4-amino-3-methylpiperidin-1-yl)-N-(2-bromo-4-methylphenyl)acetamide
CID 79868182

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methylphenyl)-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]acetamide?
The IUPAC name of N-(2-amino-4-methylphenyl)-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]acetamide (CID 81452037) is N-(2-amino-4-methylphenyl)-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(2-amino-4-methylphenyl)-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(2-amino-4-methylphenyl)-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]acetamide is Cc1ccc(NC(=O)CN2CC(C)C(N(C)C)C2)c(N)c1.
What is the InChIKey of N-(2-amino-4-methylphenyl)-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]acetamide?
The InChIKey is QKWJEOJAMOGUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-11-5-6-14(13(17)7-11)18-16(21)10-20-8-12(2)15(9-20)19(3)4/h5-7,12,15H,8-10,17H2,1-4H3,(H,18,21).
What are the key properties of N-(2-amino-4-methylphenyl)-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]acetamide?
N-(2-amino-4-methylphenyl)-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]acetamide has a molecular weight of 290.41 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methylphenyl)-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]acetamide is sourced from PubChem (CID 81452037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).