ethyl 3,3-dimethyl-2-(2-methylanilino)butanoate

C15H23NO2 — CID 61324566

IUPACethyl 3,3-dimethyl-2-(2-methylanilino)butanoate
SMILESCCOC(=O)C(Nc1ccccc1C)C(C)(C)C
InChIInChI=1S/C15H23NO2/c1-6-18-14(17)13(15(3,4)5)16-12-10-8-7-9-11(12)2/h7-10,13,16H,6H2,1-5H3
InChIKeyQASVKACWZRYTPD-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.38
Rot. Bonds4

About ethyl 3,3-dimethyl-2-(2-methylanilino)butanoate

ethyl 3,3-dimethyl-2-(2-methylanilino)butanoate (PubChem CID 61324566) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is ethyl 3,3-dimethyl-2-(2-methylanilino)butanoate.

Molecular Properties

Compound Nameethyl 3,3-dimethyl-2-(2-methylanilino)butanoate
PubChem CID61324566
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Nameethyl 3,3-dimethyl-2-(2-methylanilino)butanoate
SMILESCCOC(=O)C(Nc1ccccc1C)C(C)(C)C
InChIInChI=1S/C15H23NO2/c1-6-18-14(17)13(15(3,4)5)16-12-10-8-7-9-11(12)2/h7-10,13,16H,6H2,1-5H3
InChIKeyQASVKACWZRYTPD-UHFFFAOYSA-N
XLogP3.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(2-methoxyanilino)-3,3-dimethylbutanoate
CID 61326624
ethyl 4-methoxy-4-methyl-2-(2-methylanilino)pentanoate
CID 106675948
ethyl 2-(2-methylanilino)pent-4-enoate
CID 132607090
ethyl 2-(4-fluoroanilino)-3,3-dimethylbutanoate
CID 61325169
ethyl 2-(2-methylanilino)nonanoate
CID 63523920
ethyl 2,3-dimethyl-2-(2-methylanilino)butanoate
CID 62487923
ethyl 2-(2-methylanilino)-2-thiophen-3-ylacetate
CID 54889988
methyl 2-(2-methylanilino)nonanoate
CID 63523567
ethyl (2R)-2-benzyl-3-(2-methylanilino)-3-oxopropanoate
CID 2288463
3-methyl-2-(2-methylanilino)butanamide
CID 60679565
ethyl 3-methoxy-2-methyl-2-(2-methylanilino)butanoate
CID 113481767
ethyl 2-(1,3-dimethylpyrazol-4-yl)-2-(2-methylanilino)acetate
CID 83091037

Frequently Asked Questions

What is the IUPAC name of ethyl 3,3-dimethyl-2-(2-methylanilino)butanoate?
The IUPAC name of ethyl 3,3-dimethyl-2-(2-methylanilino)butanoate (CID 61324566) is ethyl 3,3-dimethyl-2-(2-methylanilino)butanoate.
What is the SMILES notation for ethyl 3,3-dimethyl-2-(2-methylanilino)butanoate?
The canonical SMILES for ethyl 3,3-dimethyl-2-(2-methylanilino)butanoate is CCOC(=O)C(Nc1ccccc1C)C(C)(C)C.
What is the InChIKey of ethyl 3,3-dimethyl-2-(2-methylanilino)butanoate?
The InChIKey is QASVKACWZRYTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-6-18-14(17)13(15(3,4)5)16-12-10-8-7-9-11(12)2/h7-10,13,16H,6H2,1-5H3.
What are the key properties of ethyl 3,3-dimethyl-2-(2-methylanilino)butanoate?
ethyl 3,3-dimethyl-2-(2-methylanilino)butanoate has a molecular weight of 249.35 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,3-dimethyl-2-(2-methylanilino)butanoate is sourced from PubChem (CID 61324566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).