2-(4-amino-N,2-dimethylanilino)-N-propan-2-ylacetamide

C13H21N3O — CID 55005109

IUPAC2-(4-amino-N,2-dimethylanilino)-N-propan-2-ylacetamide
SMILESCc1cc(N)ccc1N(C)CC(=O)NC(C)C
InChIInChI=1S/C13H21N3O/c1-9(2)15-13(17)8-16(4)12-6-5-11(14)7-10(12)3/h5-7,9H,8,14H2,1-4H3,(H,15,17)
InChIKeyLFLANFVSBCFRKC-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.54
Rot. Bonds4

About 2-(4-amino-N,2-dimethylanilino)-N-propan-2-ylacetamide

2-(4-amino-N,2-dimethylanilino)-N-propan-2-ylacetamide (PubChem CID 55005109) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(4-amino-N,2-dimethylanilino)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-amino-N,2-dimethylanilino)-N-propan-2-ylacetamide
PubChem CID55005109
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-(4-amino-N,2-dimethylanilino)-N-propan-2-ylacetamide
SMILESCc1cc(N)ccc1N(C)CC(=O)NC(C)C
InChIInChI=1S/C13H21N3O/c1-9(2)15-13(17)8-16(4)12-6-5-11(14)7-10(12)3/h5-7,9H,8,14H2,1-4H3,(H,15,17)
InChIKeyLFLANFVSBCFRKC-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': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(4-amino-N,2-dimethylanilino)-N-propan-2-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-amino-N,2-dimethylanilino)-N-(2-methylpropyl)acetamide
CID 113408910
2-(4-amino-5-chloro-N,2-dimethylanilino)-N-propan-2-ylacetamide
CID 115554773
2-(2-amino-N,3-dimethylanilino)-N-propan-2-ylacetamide
CID 114041230
2-(4-amino-N,2-dimethylanilino)acetic acid
CID 62253488
3-(4-amino-2-methylphenyl)sulfanyl-N-propan-2-ylpropanamide
CID 62626257
5-amino-2-[methyl-[3-oxo-3-(propan-2-ylamino)propyl]amino]benzoic acid
CID 63116508
2-[2-fluoro-4-[(1R)-1-hydroxyethyl]-N-methylanilino]-N-propan-2-ylacetamide
CID 78940649
2-[2-bromo-4-(1-hydroxyethyl)-N-methylanilino]-N-propan-2-ylacetamide
CID 55132276
3-chloro-4-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzoic acid
CID 81151891
2-(2-carbamothioyl-N,6-dimethylanilino)-N-propan-2-ylacetamide
CID 107108094
4-amino-2-chloro-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 61139557
2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzoic acid
CID 55037894

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-N,2-dimethylanilino)-N-propan-2-ylacetamide?
The IUPAC name of 2-(4-amino-N,2-dimethylanilino)-N-propan-2-ylacetamide (CID 55005109) is 2-(4-amino-N,2-dimethylanilino)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(4-amino-N,2-dimethylanilino)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(4-amino-N,2-dimethylanilino)-N-propan-2-ylacetamide is Cc1cc(N)ccc1N(C)CC(=O)NC(C)C.
What is the InChIKey of 2-(4-amino-N,2-dimethylanilino)-N-propan-2-ylacetamide?
The InChIKey is LFLANFVSBCFRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9(2)15-13(17)8-16(4)12-6-5-11(14)7-10(12)3/h5-7,9H,8,14H2,1-4H3,(H,15,17).
What are the key properties of 2-(4-amino-N,2-dimethylanilino)-N-propan-2-ylacetamide?
2-(4-amino-N,2-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-(4-amino-N,2-dimethylanilino)-N-propan-2-ylacetamide is sourced from PubChem (CID 55005109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).