N-tert-butyl-2-(4-cyano-N-methylanilino)acetamide

C14H19N3O — CID 60724445

IUPACN-tert-butyl-2-(4-cyano-N-methylanilino)acetamide
SMILESCN(CC(=O)NC(C)(C)C)c1ccc(C#N)cc1
InChIInChI=1S/C14H19N3O/c1-14(2,3)16-13(18)10-17(4)12-7-5-11(9-15)6-8-12/h5-8H,10H2,1-4H3,(H,16,18)
InChIKeyVRDNZVYXQDZVFT-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.91
Rot. Bonds3

About N-tert-butyl-2-(4-cyano-N-methylanilino)acetamide

N-tert-butyl-2-(4-cyano-N-methylanilino)acetamide (PubChem CID 60724445) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-tert-butyl-2-(4-cyano-N-methylanilino)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(4-cyano-N-methylanilino)acetamide
PubChem CID60724445
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-tert-butyl-2-(4-cyano-N-methylanilino)acetamide
SMILESCN(CC(=O)NC(C)(C)C)c1ccc(C#N)cc1
InChIInChI=1S/C14H19N3O/c1-14(2,3)16-13(18)10-17(4)12-7-5-11(9-15)6-8-12/h5-8H,10H2,1-4H3,(H,16,18)
InChIKeyVRDNZVYXQDZVFT-UHFFFAOYSA-N
XLogP1.91
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-[(6-cyano-3-pyridinyl)-methylamino]acetamide
CID 133358596
N-benzyl-2-(4-cyano-N-methylanilino)acetamide
CID 62982094
N-(4-cyanophenyl)-2-(4-fluoro-N-methylanilino)acetamide
CID 60977237
N-tert-butyl-3-(4-cyanoanilino)propanamide
CID 109031416
propan-2-yl 2-(4-cyano-N-methylanilino)acetate
CID 62971958
4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzonitrile
CID 55025728
4-[[2-(4-chlorophenyl)-2-oxoethyl]-methylamino]benzonitrile
CID 62981009
4-[2-(4-cyano-N-methylanilino)ethyl-methylamino]benzonitrile
CID 46837999
4-[methyl-[2-(methylaminomethyl)prop-2-enyl]amino]benzonitrile
CID 103070433
4-[2-(N-methylanilino)acetyl]benzonitrile
CID 43227448
4-[2-(aminomethyl)prop-2-enyl-methylamino]benzonitrile
CID 103070435
4-[[2-(3,4-difluorophenyl)-2-oxoethyl]-methylamino]benzonitrile
CID 62982058

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(4-cyano-N-methylanilino)acetamide?
The IUPAC name of N-tert-butyl-2-(4-cyano-N-methylanilino)acetamide (CID 60724445) is N-tert-butyl-2-(4-cyano-N-methylanilino)acetamide.
What is the SMILES notation for N-tert-butyl-2-(4-cyano-N-methylanilino)acetamide?
The canonical SMILES for N-tert-butyl-2-(4-cyano-N-methylanilino)acetamide is CN(CC(=O)NC(C)(C)C)c1ccc(C#N)cc1.
What is the InChIKey of N-tert-butyl-2-(4-cyano-N-methylanilino)acetamide?
The InChIKey is VRDNZVYXQDZVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-14(2,3)16-13(18)10-17(4)12-7-5-11(9-15)6-8-12/h5-8H,10H2,1-4H3,(H,16,18).
What are the key properties of N-tert-butyl-2-(4-cyano-N-methylanilino)acetamide?
N-tert-butyl-2-(4-cyano-N-methylanilino)acetamide has a molecular weight of 245.33 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(4-cyano-N-methylanilino)acetamide is sourced from PubChem (CID 60724445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).