ethyl 2-(3-methoxyanilino)-3-methylbutanoate

C14H21NO3 — CID 61317894

IUPACethyl 2-(3-methoxyanilino)-3-methylbutanoate
SMILESCCOC(=O)C(Nc1cccc(OC)c1)C(C)C
InChIInChI=1S/C14H21NO3/c1-5-18-14(16)13(10(2)3)15-11-7-6-8-12(9-11)17-4/h6-10,13,15H,5H2,1-4H3
InChIKeyMKDXOOZADNXSMS-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.69
Rot. Bonds6

About ethyl 2-(3-methoxyanilino)-3-methylbutanoate

ethyl 2-(3-methoxyanilino)-3-methylbutanoate (PubChem CID 61317894) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is ethyl 2-(3-methoxyanilino)-3-methylbutanoate.

Molecular Properties

Compound Nameethyl 2-(3-methoxyanilino)-3-methylbutanoate
PubChem CID61317894
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Nameethyl 2-(3-methoxyanilino)-3-methylbutanoate
SMILESCCOC(=O)C(Nc1cccc(OC)c1)C(C)C
InChIInChI=1S/C14H21NO3/c1-5-18-14(16)13(10(2)3)15-11-7-6-8-12(9-11)17-4/h6-10,13,15H,5H2,1-4H3
InChIKeyMKDXOOZADNXSMS-UHFFFAOYSA-N
XLogP2.69
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-methyl-2-(3-methylanilino)butanoate
CID 61318293
ethyl 2-(4-methoxyanilino)-3-methylbutanoate
CID 10753251
methyl 2-(3-methoxyanilino)-3-methylpentanoate
CID 61319353
ethyl 2-(3-chloroanilino)-3-methylbutanoate
CID 61317893
ethyl 2-(3-methoxyanilino)-3-methylbut-3-enoate
CID 114784559
ethyl 2-(3-chloroanilino)-4-methoxy-3-methylbutanoate
CID 116502017
3-methoxy-N-[(3S)-2-methylpentan-3-yl]aniline
CID 93283290
ethyl 4-methoxy-2-(4-methoxyanilino)-3-methylbutanoate
CID 116502005
ethyl 2-(3-butan-2-yloxyanilino)propanoate
CID 55208911
N,N-diethyl-2-(3-methoxyanilino)propanamide
CID 43112833
2-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-3-methylbutanoic acid
CID 43468312
ethyl 2-(3-methoxyanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetate
CID 104770658

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-methoxyanilino)-3-methylbutanoate?
The IUPAC name of ethyl 2-(3-methoxyanilino)-3-methylbutanoate (CID 61317894) is ethyl 2-(3-methoxyanilino)-3-methylbutanoate.
What is the SMILES notation for ethyl 2-(3-methoxyanilino)-3-methylbutanoate?
The canonical SMILES for ethyl 2-(3-methoxyanilino)-3-methylbutanoate is CCOC(=O)C(Nc1cccc(OC)c1)C(C)C.
What is the InChIKey of ethyl 2-(3-methoxyanilino)-3-methylbutanoate?
The InChIKey is MKDXOOZADNXSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-5-18-14(16)13(10(2)3)15-11-7-6-8-12(9-11)17-4/h6-10,13,15H,5H2,1-4H3.
What are the key properties of ethyl 2-(3-methoxyanilino)-3-methylbutanoate?
ethyl 2-(3-methoxyanilino)-3-methylbutanoate has a molecular weight of 251.33 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-methoxyanilino)-3-methylbutanoate is sourced from PubChem (CID 61317894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).