ethyl 2-(2-methoxyanilino)-4-methylpentanoate

C15H23NO3 — CID 54890505

IUPACethyl 2-(2-methoxyanilino)-4-methylpentanoate
SMILESCCOC(=O)C(CC(C)C)Nc1ccccc1OC
InChIInChI=1S/C15H23NO3/c1-5-19-15(17)13(10-11(2)3)16-12-8-6-7-9-14(12)18-4/h6-9,11,13,16H,5,10H2,1-4H3
InChIKeyZJGCDCFDGOGONY-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.08
Rot. Bonds7

About ethyl 2-(2-methoxyanilino)-4-methylpentanoate

ethyl 2-(2-methoxyanilino)-4-methylpentanoate (PubChem CID 54890505) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is ethyl 2-(2-methoxyanilino)-4-methylpentanoate.

Molecular Properties

Compound Nameethyl 2-(2-methoxyanilino)-4-methylpentanoate
PubChem CID54890505
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Nameethyl 2-(2-methoxyanilino)-4-methylpentanoate
SMILESCCOC(=O)C(CC(C)C)Nc1ccccc1OC
InChIInChI=1S/C15H23NO3/c1-5-19-15(17)13(10-11(2)3)16-12-8-6-7-9-14(12)18-4/h6-9,11,13,16H,5,10H2,1-4H3
InChIKeyZJGCDCFDGOGONY-UHFFFAOYSA-N
XLogP3.08
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2-methoxyanilino)-4-methylpentanoate
CID 54890361
ethyl 4-amino-3-(2-methoxyanilino)-4-oxobutanoate
CID 66431538
ethyl 2-(2-methoxyanilino)-3,3-dimethylbutanoate
CID 61326624
ethyl 2-(2-methoxyanilino)-2-phenylacetate
CID 13004503
ethyl (2R,3R)-2-hydroxy-3-(2-methoxyanilino)-3-phenylpropanoate
CID 101189874
(2S)-2-(2-methoxyanilino)pentanoic acid
CID 40788460
methyl 3-hydroxy-2-(2-methoxyanilino)propanoate
CID 104711246
methyl 3-(2-methoxyanilino)-2-methylpropanoate
CID 43538383
1,2-dimethoxybenzene;methyl 2-acetamido-4-methylpentanoate
CID 174673868
2-(2-ethoxyanilino)butanamide
CID 62900399
ethyl 2-benzamido-4-methylpentanoate
CID 12773376
ethyl 5-[(2R)-2-(2-methoxyanilino)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 7986611

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methoxyanilino)-4-methylpentanoate?
The IUPAC name of ethyl 2-(2-methoxyanilino)-4-methylpentanoate (CID 54890505) is ethyl 2-(2-methoxyanilino)-4-methylpentanoate.
What is the SMILES notation for ethyl 2-(2-methoxyanilino)-4-methylpentanoate?
The canonical SMILES for ethyl 2-(2-methoxyanilino)-4-methylpentanoate is CCOC(=O)C(CC(C)C)Nc1ccccc1OC.
What is the InChIKey of ethyl 2-(2-methoxyanilino)-4-methylpentanoate?
The InChIKey is ZJGCDCFDGOGONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-5-19-15(17)13(10-11(2)3)16-12-8-6-7-9-14(12)18-4/h6-9,11,13,16H,5,10H2,1-4H3.
What are the key properties of ethyl 2-(2-methoxyanilino)-4-methylpentanoate?
ethyl 2-(2-methoxyanilino)-4-methylpentanoate has a molecular weight of 265.35 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methoxyanilino)-4-methylpentanoate is sourced from PubChem (CID 54890505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).