ethyl 2-(2-cyano-5-methyl-N-propan-2-ylanilino)acetate

C15H20N2O2 — CID 62308708

IUPACethyl 2-(2-cyano-5-methyl-N-propan-2-ylanilino)acetate
SMILESCCOC(=O)CN(c1cc(C)ccc1C#N)C(C)C
InChIInChI=1S/C15H20N2O2/c1-5-19-15(18)10-17(11(2)3)14-8-12(4)6-7-13(14)9-16/h6-8,11H,5,10H2,1-4H3
InChIKeyOOQPMNJJZZWMBX-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.64
Rot. Bonds5

About ethyl 2-(2-cyano-5-methyl-N-propan-2-ylanilino)acetate

ethyl 2-(2-cyano-5-methyl-N-propan-2-ylanilino)acetate (PubChem CID 62308708) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is ethyl 2-(2-cyano-5-methyl-N-propan-2-ylanilino)acetate.

Molecular Properties

Compound Nameethyl 2-(2-cyano-5-methyl-N-propan-2-ylanilino)acetate
PubChem CID62308708
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Nameethyl 2-(2-cyano-5-methyl-N-propan-2-ylanilino)acetate
SMILESCCOC(=O)CN(c1cc(C)ccc1C#N)C(C)C
InChIInChI=1S/C15H20N2O2/c1-5-19-15(18)10-17(11(2)3)14-8-12(4)6-7-13(14)9-16/h6-8,11H,5,10H2,1-4H3
InChIKeyOOQPMNJJZZWMBX-UHFFFAOYSA-N
XLogP2.64
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(3-cyano-2-nitro-N-propan-2-ylanilino)acetate
CID 104720161
4-methyl-2-[2-methylpropyl(propan-2-yl)amino]benzonitrile
CID 62303808
4-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]benzonitrile
CID 62302137
ethyl 2-(2-cyano-N-cyclopropyl-4-methylanilino)acetate
CID 107927296
2-(N-(2-amino-2-oxoethyl)-2-cyano-5-methylanilino)acetamide
CID 62921927
methyl 2-(2-cyano-N,5-dimethylanilino)acetate
CID 62308388
ethyl 2-(5-bromo-2-cyano-N-methylanilino)acetate
CID 114901626
ethyl 2-[(4-cyano-6-methyl-2-pyridinyl)-propan-2-ylamino]acetate
CID 114766094
2-(2-cyano-N,5-dimethylanilino)acetic acid
CID 62308954
ethyl 2-(5-chloro-2-cyano-N-propylanilino)acetate
CID 63081094
ethyl 2-(4-cyano-N,3-dimethylanilino)acetate
CID 81275854
4-methyl-2-[methyl(pentan-2-yl)amino]benzonitrile
CID 62302957

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-cyano-5-methyl-N-propan-2-ylanilino)acetate?
The IUPAC name of ethyl 2-(2-cyano-5-methyl-N-propan-2-ylanilino)acetate (CID 62308708) is ethyl 2-(2-cyano-5-methyl-N-propan-2-ylanilino)acetate.
What is the SMILES notation for ethyl 2-(2-cyano-5-methyl-N-propan-2-ylanilino)acetate?
The canonical SMILES for ethyl 2-(2-cyano-5-methyl-N-propan-2-ylanilino)acetate is CCOC(=O)CN(c1cc(C)ccc1C#N)C(C)C.
What is the InChIKey of ethyl 2-(2-cyano-5-methyl-N-propan-2-ylanilino)acetate?
The InChIKey is OOQPMNJJZZWMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-5-19-15(18)10-17(11(2)3)14-8-12(4)6-7-13(14)9-16/h6-8,11H,5,10H2,1-4H3.
What are the key properties of ethyl 2-(2-cyano-5-methyl-N-propan-2-ylanilino)acetate?
ethyl 2-(2-cyano-5-methyl-N-propan-2-ylanilino)acetate has a molecular weight of 260.34 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-cyano-5-methyl-N-propan-2-ylanilino)acetate is sourced from PubChem (CID 62308708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).