ethyl 2-(3-methoxyanilino)-2-(5-methyloxolan-2-yl)acetate

C16H23NO4 — CID 82840137

IUPACethyl 2-(3-methoxyanilino)-2-(5-methyloxolan-2-yl)acetate
SMILESCCOC(=O)C(Nc1cccc(OC)c1)C1CCC(C)O1
InChIInChI=1S/C16H23NO4/c1-4-20-16(18)15(14-9-8-11(2)21-14)17-12-6-5-7-13(10-12)19-3/h5-7,10-11,14-15,17H,4,8-9H2,1-3H3
InChIKeyJIOIVLMDAMEUDW-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.61
Rot. Bonds6

About ethyl 2-(3-methoxyanilino)-2-(5-methyloxolan-2-yl)acetate

ethyl 2-(3-methoxyanilino)-2-(5-methyloxolan-2-yl)acetate (PubChem CID 82840137) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is ethyl 2-(3-methoxyanilino)-2-(5-methyloxolan-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-methoxyanilino)-2-(5-methyloxolan-2-yl)acetate
PubChem CID82840137
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Nameethyl 2-(3-methoxyanilino)-2-(5-methyloxolan-2-yl)acetate
SMILESCCOC(=O)C(Nc1cccc(OC)c1)C1CCC(C)O1
InChIInChI=1S/C16H23NO4/c1-4-20-16(18)15(14-9-8-11(2)21-14)17-12-6-5-7-13(10-12)19-3/h5-7,10-11,14-15,17H,4,8-9H2,1-3H3
InChIKeyJIOIVLMDAMEUDW-UHFFFAOYSA-N
XLogP2.61
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-(3-methoxyanilino)-2-(5-methyloxolan-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-methoxyanilino)-2-(5-methyloxolan-2-yl)acetic acid
CID 82838074
methyl 2-(3-chloroanilino)-2-(5-methyloxolan-2-yl)acetate
CID 82837161
methyl 2-(3-bromoanilino)-2-(5-methyloxolan-2-yl)acetate
CID 82837834
2-(3-methoxyanilino)-2-(5-methyloxolan-2-yl)acetonitrile
CID 82838217
2-(3-bromoanilino)-2-(5-methyloxolan-2-yl)acetamide
CID 82837995
ethyl 2-(3-methoxyanilino)-3-methylbutanoate
CID 61317894
2-(3-methoxyanilino)-2-(oxolan-2-yl)acetamide
CID 82838220
ethyl 2-(3-methoxyanilino)-3-methylbut-3-enoate
CID 114784559
N-cyclopropyl-2-(3-methoxyanilino)propanamide
CID 43085846
3-methoxy-N-[(5-methyloxolan-2-yl)methyl]aniline
CID 82833864
2-(3-methoxyanilino)-2-(oxolan-3-yl)acetic acid
CID 54890217
methyl 2-(3-methoxyanilino)-3-methylpentanoate
CID 61319353

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-methoxyanilino)-2-(5-methyloxolan-2-yl)acetate?
The IUPAC name of ethyl 2-(3-methoxyanilino)-2-(5-methyloxolan-2-yl)acetate (CID 82840137) is ethyl 2-(3-methoxyanilino)-2-(5-methyloxolan-2-yl)acetate.
What is the SMILES notation for ethyl 2-(3-methoxyanilino)-2-(5-methyloxolan-2-yl)acetate?
The canonical SMILES for ethyl 2-(3-methoxyanilino)-2-(5-methyloxolan-2-yl)acetate is CCOC(=O)C(Nc1cccc(OC)c1)C1CCC(C)O1.
What is the InChIKey of ethyl 2-(3-methoxyanilino)-2-(5-methyloxolan-2-yl)acetate?
The InChIKey is JIOIVLMDAMEUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-4-20-16(18)15(14-9-8-11(2)21-14)17-12-6-5-7-13(10-12)19-3/h5-7,10-11,14-15,17H,4,8-9H2,1-3H3.
What are the key properties of ethyl 2-(3-methoxyanilino)-2-(5-methyloxolan-2-yl)acetate?
ethyl 2-(3-methoxyanilino)-2-(5-methyloxolan-2-yl)acetate has a molecular weight of 293.36 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-methoxyanilino)-2-(5-methyloxolan-2-yl)acetate is sourced from PubChem (CID 82840137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).