1-(4-amino-3-methylbenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide

C15H21N3O2 — CID 106317442

IUPAC1-(4-amino-3-methylbenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(C(=O)c2ccc(N)c(C)c2)C1
InChIInChI=1S/C15H21N3O2/c1-10-8-11(4-5-12(10)16)13(19)18-7-6-15(2,9-18)14(20)17-3/h4-5,8H,6-7,9,16H2,1-3H3,(H,17,20)
InChIKeyOCKHFKBURNPAFF-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.18
Rot. Bonds2

About 1-(4-amino-3-methylbenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide

1-(4-amino-3-methylbenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide (PubChem CID 106317442) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-(4-amino-3-methylbenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-amino-3-methylbenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide
PubChem CID106317442
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-(4-amino-3-methylbenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(C(=O)c2ccc(N)c(C)c2)C1
InChIInChI=1S/C15H21N3O2/c1-10-8-11(4-5-12(10)16)13(19)18-7-6-15(2,9-18)14(20)17-3/h4-5,8H,6-7,9,16H2,1-3H3,(H,17,20)
InChIKeyOCKHFKBURNPAFF-UHFFFAOYSA-N
XLogP1.18
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-amino-4,5-dichlorobenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317423
1-[4-(chloromethyl)benzoyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317992
1-(3-amino-2-bromobenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317517
(4-amino-3-methylphenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 78983514
1-(3,4-dimethylbenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 55166899
1-(3-cyanobenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106151815
1-(2,6-dichloropyridine-4-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106151782
1-(2,4-dihydroxybenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106151768
3-amino-4-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]benzoic acid
CID 106321390
4-(4-amino-3-methylbenzoyl)piperazine-1-carbaldehyde
CID 28748690
1-(2-bromofuran-3-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106151780
1-[2-(2-aminophenyl)acetyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317438

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-methylbenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-amino-3-methylbenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide (CID 106317442) is 1-(4-amino-3-methylbenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-amino-3-methylbenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-amino-3-methylbenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide is CNC(=O)C1(C)CCN(C(=O)c2ccc(N)c(C)c2)C1.
What is the InChIKey of 1-(4-amino-3-methylbenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide?
The InChIKey is OCKHFKBURNPAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-10-8-11(4-5-12(10)16)13(19)18-7-6-15(2,9-18)14(20)17-3/h4-5,8H,6-7,9,16H2,1-3H3,(H,17,20).
What are the key properties of 1-(4-amino-3-methylbenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide?
1-(4-amino-3-methylbenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-methylbenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106317442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).