2-(4-amino-3-methylanilino)-N,N-dimethylpropanamide

C12H19N3O — CID 61464522

IUPAC2-(4-amino-3-methylanilino)-N,N-dimethylpropanamide
SMILESCc1cc(NC(C)C(=O)N(C)C)ccc1N
InChIInChI=1S/C12H19N3O/c1-8-7-10(5-6-11(8)13)14-9(2)12(16)15(3)4/h5-7,9,14H,13H2,1-4H3
InChIKeyJUTAUXHZEDNXLS-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.47
Rot. Bonds3

About 2-(4-amino-3-methylanilino)-N,N-dimethylpropanamide

2-(4-amino-3-methylanilino)-N,N-dimethylpropanamide (PubChem CID 61464522) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-(4-amino-3-methylanilino)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-(4-amino-3-methylanilino)-N,N-dimethylpropanamide
PubChem CID61464522
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-(4-amino-3-methylanilino)-N,N-dimethylpropanamide
SMILESCc1cc(NC(C)C(=O)N(C)C)ccc1N
InChIInChI=1S/C12H19N3O/c1-8-7-10(5-6-11(8)13)14-9(2)12(16)15(3)4/h5-7,9,14H,13H2,1-4H3
InChIKeyJUTAUXHZEDNXLS-UHFFFAOYSA-N
XLogP1.47
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-methylanilino)-N,N-dimethylpropanamide?
The IUPAC name of 2-(4-amino-3-methylanilino)-N,N-dimethylpropanamide (CID 61464522) is 2-(4-amino-3-methylanilino)-N,N-dimethylpropanamide.
What is the SMILES notation for 2-(4-amino-3-methylanilino)-N,N-dimethylpropanamide?
The canonical SMILES for 2-(4-amino-3-methylanilino)-N,N-dimethylpropanamide is Cc1cc(NC(C)C(=O)N(C)C)ccc1N.
What is the InChIKey of 2-(4-amino-3-methylanilino)-N,N-dimethylpropanamide?
The InChIKey is JUTAUXHZEDNXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-8-7-10(5-6-11(8)13)14-9(2)12(16)15(3)4/h5-7,9,14H,13H2,1-4H3.
What are the key properties of 2-(4-amino-3-methylanilino)-N,N-dimethylpropanamide?
2-(4-amino-3-methylanilino)-N,N-dimethylpropanamide has a molecular weight of 221.30 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-methylanilino)-N,N-dimethylpropanamide is sourced from PubChem (CID 61464522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).