2-(4-amino-N,2-dimethylanilino)-N-(2-methylpropyl)acetamide

C14H23N3O — CID 113408910

IUPAC2-(4-amino-N,2-dimethylanilino)-N-(2-methylpropyl)acetamide
SMILESCc1cc(N)ccc1N(C)CC(=O)NCC(C)C
InChIInChI=1S/C14H23N3O/c1-10(2)8-16-14(18)9-17(4)13-6-5-12(15)7-11(13)3/h5-7,10H,8-9,15H2,1-4H3,(H,16,18)
InChIKeyRFHUVGYNPAIOGU-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.79
Rot. Bonds5

About 2-(4-amino-N,2-dimethylanilino)-N-(2-methylpropyl)acetamide

2-(4-amino-N,2-dimethylanilino)-N-(2-methylpropyl)acetamide (PubChem CID 113408910) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-(4-amino-N,2-dimethylanilino)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-N,2-dimethylanilino)-N-(2-methylpropyl)acetamide
PubChem CID113408910
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-(4-amino-N,2-dimethylanilino)-N-(2-methylpropyl)acetamide
SMILESCc1cc(N)ccc1N(C)CC(=O)NCC(C)C
InChIInChI=1S/C14H23N3O/c1-10(2)8-16-14(18)9-17(4)13-6-5-12(15)7-11(13)3/h5-7,10H,8-9,15H2,1-4H3,(H,16,18)
InChIKeyRFHUVGYNPAIOGU-UHFFFAOYSA-N
XLogP1.79
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.79
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'}

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Related Compounds

2-(4-amino-N,2-dimethylanilino)-N-propan-2-ylacetamide
CID 55005109
2-(4-amino-N,2-dimethylanilino)acetic acid
CID 62253488
2-(4-bromo-2-cyano-N-methylanilino)-N-(2-methylpropyl)acetamide
CID 114890848
[2-(2-methylpropylamino)-2-oxoethyl] 5-amino-2-(dimethylamino)benzoate
CID 61321624
2-(N-methyl-2-phenoxyanilino)-N-(2-methylpropyl)acetamide
CID 56549439
5-amino-6-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid
CID 114407703
5-amino-3-chloro-2-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]benzamide
CID 107196614
2-[(4-aminophenyl)methyl-propan-2-ylamino]-N-(2-methylpropyl)acetamide
CID 43460081
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-methylpropyl)acetamide
CID 30168964
2-[(3-bromo-4-pyridinyl)-methylamino]-N-(2-methylpropyl)acetamide
CID 104778623
2-(4-aminophenyl)-N-(2-methylpropyl)acetamide
CID 16776382
N-(4-amino-2-chlorophenyl)-2-(N,2-dimethylanilino)acetamide
CID 62003331

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-N,2-dimethylanilino)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(4-amino-N,2-dimethylanilino)-N-(2-methylpropyl)acetamide (CID 113408910) is 2-(4-amino-N,2-dimethylanilino)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(4-amino-N,2-dimethylanilino)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(4-amino-N,2-dimethylanilino)-N-(2-methylpropyl)acetamide is Cc1cc(N)ccc1N(C)CC(=O)NCC(C)C.
What is the InChIKey of 2-(4-amino-N,2-dimethylanilino)-N-(2-methylpropyl)acetamide?
The InChIKey is RFHUVGYNPAIOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-10(2)8-16-14(18)9-17(4)13-6-5-12(15)7-11(13)3/h5-7,10H,8-9,15H2,1-4H3,(H,16,18).
What are the key properties of 2-(4-amino-N,2-dimethylanilino)-N-(2-methylpropyl)acetamide?
2-(4-amino-N,2-dimethylanilino)-N-(2-methylpropyl)acetamide has a molecular weight of 249.36 g/mol, XLogP of 1.79, 5 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-(2-methylpropyl)acetamide is sourced from PubChem (CID 113408910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).