N-tert-butyl-2-(2-cyano-6-methylanilino)acetamide

C14H19N3O — CID 107107106

IUPACN-tert-butyl-2-(2-cyano-6-methylanilino)acetamide
SMILESCc1cccc(C#N)c1NCC(=O)NC(C)(C)C
InChIInChI=1S/C14H19N3O/c1-10-6-5-7-11(8-15)13(10)16-9-12(18)17-14(2,3)4/h5-7,16H,9H2,1-4H3,(H,17,18)
InChIKeyBEELJGYUGIEDPS-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.19
Rot. Bonds3

About N-tert-butyl-2-(2-cyano-6-methylanilino)acetamide

N-tert-butyl-2-(2-cyano-6-methylanilino)acetamide (PubChem CID 107107106) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-tert-butyl-2-(2-cyano-6-methylanilino)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(2-cyano-6-methylanilino)acetamide
PubChem CID107107106
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-tert-butyl-2-(2-cyano-6-methylanilino)acetamide
SMILESCc1cccc(C#N)c1NCC(=O)NC(C)(C)C
InChIInChI=1S/C14H19N3O/c1-10-6-5-7-11(8-15)13(10)16-9-12(18)17-14(2,3)4/h5-7,16H,9H2,1-4H3,(H,17,18)
InChIKeyBEELJGYUGIEDPS-UHFFFAOYSA-N
XLogP2.19
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-amino-6-methylanilino)-N-tert-butylacetamide
CID 115550766
ethyl 2-(2-cyano-6-methylanilino)acetate
CID 107106524
2-[(2-hydroxy-2-methylpropyl)amino]-3-methylbenzonitrile
CID 107111136
2-(2-cyano-6-methylanilino)ethylurea
CID 107107166
2-(3,3-dimethylbutylamino)-3-methylbenzonitrile
CID 107107286
3-(2-cyano-6-methylanilino)-3-methylbutanamide
CID 106096700
N-tert-butyl-3-(2,6-dimethylanilino)propanamide
CID 109031328
N-tert-butyl-2-(2,4,6-trimethylanilino)acetamide
CID 54812139
2-[3-(ethylamino)propylamino]-3-methylbenzonitrile
CID 107111346
methyl 6-(2-cyano-6-methylanilino)hexanoate
CID 107111714
N-tert-butyl-2-[(4-cyanopyridazin-3-yl)amino]acetamide
CID 115356285
N-tert-butyl-2-[(3-cyanoquinolin-2-yl)amino]acetamide
CID 79834245

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(2-cyano-6-methylanilino)acetamide?
The IUPAC name of N-tert-butyl-2-(2-cyano-6-methylanilino)acetamide (CID 107107106) is N-tert-butyl-2-(2-cyano-6-methylanilino)acetamide.
What is the SMILES notation for N-tert-butyl-2-(2-cyano-6-methylanilino)acetamide?
The canonical SMILES for N-tert-butyl-2-(2-cyano-6-methylanilino)acetamide is Cc1cccc(C#N)c1NCC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-(2-cyano-6-methylanilino)acetamide?
The InChIKey is BEELJGYUGIEDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10-6-5-7-11(8-15)13(10)16-9-12(18)17-14(2,3)4/h5-7,16H,9H2,1-4H3,(H,17,18).
What are the key properties of N-tert-butyl-2-(2-cyano-6-methylanilino)acetamide?
N-tert-butyl-2-(2-cyano-6-methylanilino)acetamide has a molecular weight of 245.33 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(2-cyano-6-methylanilino)acetamide is sourced from PubChem (CID 107107106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).