ethyl 3-(3-methoxyanilino)-1,5-dimethylpyrrolidine-3-carboxylate

C16H24N2O3 — CID 81472733

IUPACethyl 3-(3-methoxyanilino)-1,5-dimethylpyrrolidine-3-carboxylate
SMILESCCOC(=O)C1(Nc2cccc(OC)c2)CC(C)N(C)C1
InChIInChI=1S/C16H24N2O3/c1-5-21-15(19)16(10-12(2)18(3)11-16)17-13-7-6-8-14(9-13)20-4/h6-9,12,17H,5,10-11H2,1-4H3
InChIKeyHOIPKLXUOMOPGB-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.13
Rot. Bonds5

About ethyl 3-(3-methoxyanilino)-1,5-dimethylpyrrolidine-3-carboxylate

ethyl 3-(3-methoxyanilino)-1,5-dimethylpyrrolidine-3-carboxylate (PubChem CID 81472733) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is ethyl 3-(3-methoxyanilino)-1,5-dimethylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 3-(3-methoxyanilino)-1,5-dimethylpyrrolidine-3-carboxylate
PubChem CID81472733
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Nameethyl 3-(3-methoxyanilino)-1,5-dimethylpyrrolidine-3-carboxylate
SMILESCCOC(=O)C1(Nc2cccc(OC)c2)CC(C)N(C)C1
InChIInChI=1S/C16H24N2O3/c1-5-21-15(19)16(10-12(2)18(3)11-16)17-13-7-6-8-14(9-13)20-4/h6-9,12,17H,5,10-11H2,1-4H3
InChIKeyHOIPKLXUOMOPGB-UHFFFAOYSA-N
XLogP2.13
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-anilino-1,5-dimethylpyrrolidine-3-carboxylate
CID 81467504
ethyl 1-(3-methoxyanilino)-3-propan-2-ylcyclobutane-1-carboxylate
CID 103563491
ethyl 3-(3-methoxyanilino)thiolane-3-carboxylate
CID 54890596
ethyl 3-(2-fluoroanilino)-1,5-dimethylpyrrolidine-3-carboxylate
CID 81468732
methyl 1-ethyl-4-(3-methoxyanilino)piperidine-4-carboxylate
CID 60993286
1-(3-methoxyanilino)-3,4-dimethylcyclohexane-1-carboxylic acid
CID 64744281
ethyl 1,5-dimethyl-3-(propan-2-ylamino)pyrrolidine-3-carboxylate
CID 81467706
1-(3-methoxyanilino)-3-methylcyclopentane-1-carboxylic acid
CID 64513111
ethyl 1-(3-bromoanilino)-3,4-dimethylcyclohexane-1-carboxylate
CID 64747242
methyl 1-benzyl-5-methyl-3-(3-methylanilino)pyrrolidine-3-carboxylate
CID 112742902
methyl 3-(2-bromoanilino)-1,5-dimethylpyrrolidine-3-carboxylate
CID 81468311
ethyl 1-(3-chloroanilino)-3-methylcyclopentane-1-carboxylate
CID 64516653

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-methoxyanilino)-1,5-dimethylpyrrolidine-3-carboxylate?
The IUPAC name of ethyl 3-(3-methoxyanilino)-1,5-dimethylpyrrolidine-3-carboxylate (CID 81472733) is ethyl 3-(3-methoxyanilino)-1,5-dimethylpyrrolidine-3-carboxylate.
What is the SMILES notation for ethyl 3-(3-methoxyanilino)-1,5-dimethylpyrrolidine-3-carboxylate?
The canonical SMILES for ethyl 3-(3-methoxyanilino)-1,5-dimethylpyrrolidine-3-carboxylate is CCOC(=O)C1(Nc2cccc(OC)c2)CC(C)N(C)C1.
What is the InChIKey of ethyl 3-(3-methoxyanilino)-1,5-dimethylpyrrolidine-3-carboxylate?
The InChIKey is HOIPKLXUOMOPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-5-21-15(19)16(10-12(2)18(3)11-16)17-13-7-6-8-14(9-13)20-4/h6-9,12,17H,5,10-11H2,1-4H3.
What are the key properties of ethyl 3-(3-methoxyanilino)-1,5-dimethylpyrrolidine-3-carboxylate?
ethyl 3-(3-methoxyanilino)-1,5-dimethylpyrrolidine-3-carboxylate has a molecular weight of 292.38 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-methoxyanilino)-1,5-dimethylpyrrolidine-3-carboxylate is sourced from PubChem (CID 81472733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).