ethyl 4-methoxy-4-methyl-2-(3-methylanilino)pentanoate

C16H25NO3 — CID 106675959

IUPACethyl 4-methoxy-4-methyl-2-(3-methylanilino)pentanoate
SMILESCCOC(=O)C(CC(C)(C)OC)Nc1cccc(C)c1
InChIInChI=1S/C16H25NO3/c1-6-20-15(18)14(11-16(3,4)19-5)17-13-9-7-8-12(2)10-13/h7-10,14,17H,6,11H2,1-5H3
InChIKeyRWNJSNOCUGKKSB-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.15
Rot. Bonds7

About ethyl 4-methoxy-4-methyl-2-(3-methylanilino)pentanoate

ethyl 4-methoxy-4-methyl-2-(3-methylanilino)pentanoate (PubChem CID 106675959) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is ethyl 4-methoxy-4-methyl-2-(3-methylanilino)pentanoate.

Molecular Properties

Compound Nameethyl 4-methoxy-4-methyl-2-(3-methylanilino)pentanoate
PubChem CID106675959
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Nameethyl 4-methoxy-4-methyl-2-(3-methylanilino)pentanoate
SMILESCCOC(=O)C(CC(C)(C)OC)Nc1cccc(C)c1
InChIInChI=1S/C16H25NO3/c1-6-20-15(18)14(11-16(3,4)19-5)17-13-9-7-8-12(2)10-13/h7-10,14,17H,6,11H2,1-5H3
InChIKeyRWNJSNOCUGKKSB-UHFFFAOYSA-N
XLogP3.15
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(3-fluoro-5-methylanilino)-4-methoxy-4-methylpentanoate
CID 106676058
4-methoxy-4-methyl-2-(3-methylanilino)pentan-1-ol
CID 106676183
ethyl (2R)-2-(3-methylanilino)propanoate
CID 102078711
4,4-dimethyl-2-(3-methylanilino)pentanamide
CID 62950237
ethyl 2-(2-bromoanilino)-4-methoxy-4-methylpentanoate
CID 106675965
4,4-dimethyl-2-(3-methylanilino)pentanoic acid
CID 62951160
ethyl 4-methoxy-4-methyl-2-(2-methylanilino)pentanoate
CID 106675948
ethyl 3-methyl-2-(3-methylanilino)butanoate
CID 61318293
(2S)-2-(3-methylanilino)pentanoic acid
CID 40788448
3-hydroxy-2-(3-methylanilino)propanamide
CID 104711172
methyl 4-methoxy-2,4-dimethyl-2-(3-methylanilino)pentanoate
CID 60994642
2-(3-methylanilino)heptanoic acid
CID 54890661

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methoxy-4-methyl-2-(3-methylanilino)pentanoate?
The IUPAC name of ethyl 4-methoxy-4-methyl-2-(3-methylanilino)pentanoate (CID 106675959) is ethyl 4-methoxy-4-methyl-2-(3-methylanilino)pentanoate.
What is the SMILES notation for ethyl 4-methoxy-4-methyl-2-(3-methylanilino)pentanoate?
The canonical SMILES for ethyl 4-methoxy-4-methyl-2-(3-methylanilino)pentanoate is CCOC(=O)C(CC(C)(C)OC)Nc1cccc(C)c1.
What is the InChIKey of ethyl 4-methoxy-4-methyl-2-(3-methylanilino)pentanoate?
The InChIKey is RWNJSNOCUGKKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-6-20-15(18)14(11-16(3,4)19-5)17-13-9-7-8-12(2)10-13/h7-10,14,17H,6,11H2,1-5H3.
What are the key properties of ethyl 4-methoxy-4-methyl-2-(3-methylanilino)pentanoate?
ethyl 4-methoxy-4-methyl-2-(3-methylanilino)pentanoate has a molecular weight of 279.38 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methoxy-4-methyl-2-(3-methylanilino)pentanoate is sourced from PubChem (CID 106675959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).