ethyl 3-(2-cyano-6-methoxyanilino)-2-methylpropanoate

C14H18N2O3 — CID 107467674

IUPACethyl 3-(2-cyano-6-methoxyanilino)-2-methylpropanoate
SMILESCCOC(=O)C(C)CNc1c(C#N)cccc1OC
InChIInChI=1S/C14H18N2O3/c1-4-19-14(17)10(2)9-16-13-11(8-15)6-5-7-12(13)18-3/h5-7,10,16H,4,9H2,1-3H3
InChIKeyPZMBVRVLFVQNSK-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.18
Rot. Bonds6

About ethyl 3-(2-cyano-6-methoxyanilino)-2-methylpropanoate

ethyl 3-(2-cyano-6-methoxyanilino)-2-methylpropanoate (PubChem CID 107467674) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is ethyl 3-(2-cyano-6-methoxyanilino)-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 3-(2-cyano-6-methoxyanilino)-2-methylpropanoate
PubChem CID107467674
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Nameethyl 3-(2-cyano-6-methoxyanilino)-2-methylpropanoate
SMILESCCOC(=O)C(C)CNc1c(C#N)cccc1OC
InChIInChI=1S/C14H18N2O3/c1-4-19-14(17)10(2)9-16-13-11(8-15)6-5-7-12(13)18-3/h5-7,10,16H,4,9H2,1-3H3
InChIKeyPZMBVRVLFVQNSK-UHFFFAOYSA-N
XLogP2.18
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-3-(2-cyano-6-methoxyanilino)propanamide
CID 107468750
2-(2-hydroxybutylamino)-3-methoxybenzonitrile
CID 107467370
2-(2,2-diethoxyethylamino)-3-methoxybenzonitrile
CID 107467407
ethyl (E)-4-(2-cyano-6-methoxyanilino)but-2-enoate
CID 107467558
methyl 3-amino-2-(2-cyano-6-methoxyanilino)propanoate
CID 114242386
(2S)-2-amino-N-(2-cyano-6-methoxyphenyl)-3-methylpentanamide
CID 107467870
ethyl 3-(3,4-dicyanoanilino)-2-methylpropanoate
CID 107789170
2-(2-cyano-6-methoxyanilino)-N-(3-methylbutyl)acetamide
CID 107467410
2-(2-ethoxyethylamino)-3-methoxybenzonitrile
CID 107467427
2-(2-cyano-6-methoxyanilino)-N-(2-methylpropyl)propanamide
CID 107467514
2-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-3-methoxybenzonitrile
CID 107467634
tert-butyl N-[2-(2-cyano-6-methoxyanilino)propyl]carbamate
CID 107466574

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-cyano-6-methoxyanilino)-2-methylpropanoate?
The IUPAC name of ethyl 3-(2-cyano-6-methoxyanilino)-2-methylpropanoate (CID 107467674) is ethyl 3-(2-cyano-6-methoxyanilino)-2-methylpropanoate.
What is the SMILES notation for ethyl 3-(2-cyano-6-methoxyanilino)-2-methylpropanoate?
The canonical SMILES for ethyl 3-(2-cyano-6-methoxyanilino)-2-methylpropanoate is CCOC(=O)C(C)CNc1c(C#N)cccc1OC.
What is the InChIKey of ethyl 3-(2-cyano-6-methoxyanilino)-2-methylpropanoate?
The InChIKey is PZMBVRVLFVQNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-4-19-14(17)10(2)9-16-13-11(8-15)6-5-7-12(13)18-3/h5-7,10,16H,4,9H2,1-3H3.
What are the key properties of ethyl 3-(2-cyano-6-methoxyanilino)-2-methylpropanoate?
ethyl 3-(2-cyano-6-methoxyanilino)-2-methylpropanoate has a molecular weight of 262.31 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-cyano-6-methoxyanilino)-2-methylpropanoate is sourced from PubChem (CID 107467674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).