ethyl 2-(4-chloro-2-methylanilino)-2-(4-methoxycarbonyloxy-5-methylfuran-2-yl)acetate

C18H20ClNO6 — CID 68797402

IUPACethyl 2-(4-chloro-2-methylanilino)-2-(4-methoxycarbonyloxy-5-methylfuran-2-yl)acetate
SMILESCCOC(=O)C(Nc1ccc(Cl)cc1C)c1cc(OC(=O)OC)c(C)o1
InChIInChI=1S/C18H20ClNO6/c1-5-24-17(21)16(20-13-7-6-12(19)8-10(13)2)15-9-14(11(3)25-15)26-18(22)23-4/h6-9,16,20H,5H2,1-4H3
InChIKeyDDWRSOVCRDIOGL-UHFFFAOYSA-N
MW381.81 g/mol
LogP4.41
Rot. Bonds6

About ethyl 2-(4-chloro-2-methylanilino)-2-(4-methoxycarbonyloxy-5-methylfuran-2-yl)acetate

ethyl 2-(4-chloro-2-methylanilino)-2-(4-methoxycarbonyloxy-5-methylfuran-2-yl)acetate (PubChem CID 68797402) has the molecular formula C18H20ClNO6 and a molecular weight of 381.81 g/mol. Its IUPAC name is ethyl 2-(4-chloro-2-methylanilino)-2-(4-methoxycarbonyloxy-5-methylfuran-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-chloro-2-methylanilino)-2-(4-methoxycarbonyloxy-5-methylfuran-2-yl)acetate
PubChem CID68797402
Molecular FormulaC18H20ClNO6
Molecular Weight381.81 g/mol
Exact Mass381.10
IUPAC Nameethyl 2-(4-chloro-2-methylanilino)-2-(4-methoxycarbonyloxy-5-methylfuran-2-yl)acetate
SMILESCCOC(=O)C(Nc1ccc(Cl)cc1C)c1cc(OC(=O)OC)c(C)o1
InChIInChI=1S/C18H20ClNO6/c1-5-24-17(21)16(20-13-7-6-12(19)8-10(13)2)15-9-14(11(3)25-15)26-18(22)23-4/h6-9,16,20H,5H2,1-4H3
InChIKeyDDWRSOVCRDIOGL-UHFFFAOYSA-N
XLogP4.41
TPSA87.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.81
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-(4-chloro-2-methylanilino)-2-(4-methoxycarbonyloxy-5-methylfuran-2-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,5-dichloroanilino)-2-(4-methoxycarbonyloxy-5-methylfuran-2-yl)acetic acid
CID 68797583
methyl 2-(4-chloro-2-methylanilino)propanoate
CID 60666871
5-[1-(2-chloroanilino)-2-ethoxy-2-oxoethyl]-2-methylfuran-3-carboxylic acid
CID 22666013
ethyl 5-[1-(2-chloro-4-fluoroanilino)-2-ethoxy-2-oxoethyl]-2-methylfuran-3-carboxylate
CID 10199999
(5-chloro-2-methoxyphenyl) methyl carbonate
CID 170342081
3-(4-chloro-2-methylanilino)butanethioamide
CID 82085018
ethyl 2-(2,4-dimethylanilino)-2-phenylacetate
CID 103600909
tert-butyl 2-amino-2-(4-chloro-2-ethoxyanilino)acetate
CID 174415790
(4-chloro-2-methylphenyl) 2-methoxyethyl carbonate
CID 91694190
ethyl 4-(4-chloro-2-methylanilino)-4-oxobutanoate
CID 60660611
ethyl N-[(4-chloro-2-methylphenyl)carbamoylamino]carbamate
CID 4307615
methyl N-(4-chloro-2-methylphenyl)carbamate
CID 3262623

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-chloro-2-methylanilino)-2-(4-methoxycarbonyloxy-5-methylfuran-2-yl)acetate?
The IUPAC name of ethyl 2-(4-chloro-2-methylanilino)-2-(4-methoxycarbonyloxy-5-methylfuran-2-yl)acetate (CID 68797402) is ethyl 2-(4-chloro-2-methylanilino)-2-(4-methoxycarbonyloxy-5-methylfuran-2-yl)acetate.
What is the SMILES notation for ethyl 2-(4-chloro-2-methylanilino)-2-(4-methoxycarbonyloxy-5-methylfuran-2-yl)acetate?
The canonical SMILES for ethyl 2-(4-chloro-2-methylanilino)-2-(4-methoxycarbonyloxy-5-methylfuran-2-yl)acetate is CCOC(=O)C(Nc1ccc(Cl)cc1C)c1cc(OC(=O)OC)c(C)o1.
What is the InChIKey of ethyl 2-(4-chloro-2-methylanilino)-2-(4-methoxycarbonyloxy-5-methylfuran-2-yl)acetate?
The InChIKey is DDWRSOVCRDIOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO6/c1-5-24-17(21)16(20-13-7-6-12(19)8-10(13)2)15-9-14(11(3)25-15)26-18(22)23-4/h6-9,16,20H,5H2,1-4H3.
What are the key properties of ethyl 2-(4-chloro-2-methylanilino)-2-(4-methoxycarbonyloxy-5-methylfuran-2-yl)acetate?
ethyl 2-(4-chloro-2-methylanilino)-2-(4-methoxycarbonyloxy-5-methylfuran-2-yl)acetate has a molecular weight of 381.81 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-chloro-2-methylanilino)-2-(4-methoxycarbonyloxy-5-methylfuran-2-yl)acetate is sourced from PubChem (CID 68797402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).