2-(2-amino-N,3-dimethylanilino)-N-propan-2-ylacetamide

C13H21N3O — CID 114041230

IUPAC2-(2-amino-N,3-dimethylanilino)-N-propan-2-ylacetamide
SMILESCc1cccc(N(C)CC(=O)NC(C)C)c1N
InChIInChI=1S/C13H21N3O/c1-9(2)15-12(17)8-16(4)11-7-5-6-10(3)13(11)14/h5-7,9H,8,14H2,1-4H3,(H,15,17)
InChIKeyBESSLZNMNURZEI-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.54
Rot. Bonds4

About 2-(2-amino-N,3-dimethylanilino)-N-propan-2-ylacetamide

2-(2-amino-N,3-dimethylanilino)-N-propan-2-ylacetamide (PubChem CID 114041230) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(2-amino-N,3-dimethylanilino)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(2-amino-N,3-dimethylanilino)-N-propan-2-ylacetamide
PubChem CID114041230
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-(2-amino-N,3-dimethylanilino)-N-propan-2-ylacetamide
SMILESCc1cccc(N(C)CC(=O)NC(C)C)c1N
InChIInChI=1S/C13H21N3O/c1-9(2)15-12(17)8-16(4)11-7-5-6-10(3)13(11)14/h5-7,9H,8,14H2,1-4H3,(H,15,17)
InChIKeyBESSLZNMNURZEI-UHFFFAOYSA-N
XLogP1.54
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.54
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

2-(2-amino-N-methyl-3-methylsulfonylanilino)-N-propan-2-ylacetamide
CID 82002404
2-(4-amino-N,2-dimethylanilino)-N-propan-2-ylacetamide
CID 55005109
2-[2-(aminomethyl)-N,6-dimethylanilino]-N-propan-2-ylacetamide
CID 107105633
2-(2-carbamothioyl-N,6-dimethylanilino)-N-propan-2-ylacetamide
CID 107108094
2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzoic acid
CID 55037894
2-(4-amino-5-chloro-N,2-dimethylanilino)-N-propan-2-ylacetamide
CID 115554773
2-(3-hydrazinyl-N-methyl-2-nitroanilino)-N-propan-2-ylacetamide
CID 80900074
[3-oxo-3-(propan-2-ylamino)propyl] 2-amino-3-methylbenzoate
CID 62625918
2-[methyl(1,2,3,4-tetrahydroquinolin-8-yl)amino]-N-propan-2-ylacetamide
CID 81214863
2-amino-3-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzoic acid
CID 115545429
3-[2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]phenyl]prop-2-enoic acid
CID 76912082
2-(2-amino-N-(2-amino-2-oxoethyl)-3-methylanilino)acetamide
CID 114041266

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-N,3-dimethylanilino)-N-propan-2-ylacetamide?
The IUPAC name of 2-(2-amino-N,3-dimethylanilino)-N-propan-2-ylacetamide (CID 114041230) is 2-(2-amino-N,3-dimethylanilino)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(2-amino-N,3-dimethylanilino)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(2-amino-N,3-dimethylanilino)-N-propan-2-ylacetamide is Cc1cccc(N(C)CC(=O)NC(C)C)c1N.
What is the InChIKey of 2-(2-amino-N,3-dimethylanilino)-N-propan-2-ylacetamide?
The InChIKey is BESSLZNMNURZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9(2)15-12(17)8-16(4)11-7-5-6-10(3)13(11)14/h5-7,9H,8,14H2,1-4H3,(H,15,17).
What are the key properties of 2-(2-amino-N,3-dimethylanilino)-N-propan-2-ylacetamide?
2-(2-amino-N,3-dimethylanilino)-N-propan-2-ylacetamide has a molecular weight of 235.33 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-N,3-dimethylanilino)-N-propan-2-ylacetamide is sourced from PubChem (CID 114041230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).