methyl 2-(4-methoxyanilino)-2-(oxolan-3-yl)acetate

C14H19NO4 — CID 54889486

IUPACmethyl 2-(4-methoxyanilino)-2-(oxolan-3-yl)acetate
SMILESCOC(=O)C(Nc1ccc(OC)cc1)C1CCOC1
InChIInChI=1S/C14H19NO4/c1-17-12-5-3-11(4-6-12)15-13(14(16)18-2)10-7-8-19-9-10/h3-6,10,13,15H,7-9H2,1-2H3
InChIKeyWQSPFFDSGGBNBQ-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.69
Rot. Bonds5

About methyl 2-(4-methoxyanilino)-2-(oxolan-3-yl)acetate

methyl 2-(4-methoxyanilino)-2-(oxolan-3-yl)acetate (PubChem CID 54889486) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 2-(4-methoxyanilino)-2-(oxolan-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-methoxyanilino)-2-(oxolan-3-yl)acetate
PubChem CID54889486
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Namemethyl 2-(4-methoxyanilino)-2-(oxolan-3-yl)acetate
SMILESCOC(=O)C(Nc1ccc(OC)cc1)C1CCOC1
InChIInChI=1S/C14H19NO4/c1-17-12-5-3-11(4-6-12)15-13(14(16)18-2)10-7-8-19-9-10/h3-6,10,13,15H,7-9H2,1-2H3
InChIKeyWQSPFFDSGGBNBQ-UHFFFAOYSA-N
XLogP1.69
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(4-chloroanilino)-2-(oxolan-3-yl)acetate
CID 54890745
methyl 2-anilino-2-(oxan-4-yl)acetate
CID 62386905
methyl 2-(3-fluoro-5-methylanilino)-2-(oxolan-3-yl)acetate
CID 79049491
ethyl 2-(4-bromoanilino)-2-(oxolan-3-yl)acetate
CID 54890681
2-(4-methoxyanilino)-2-(oxolan-3-yl)acetonitrile
CID 54886831
2-(3-methoxyanilino)-2-(oxolan-3-yl)acetic acid
CID 54890217
methyl 2-(2-bromoanilino)-2-(oxolan-3-yl)acetate
CID 54890349
methyl 2-(3-fluoroanilino)-2-(oxan-3-yl)acetate
CID 63740597
N-(4-methoxyphenyl)-2-(oxan-4-yl)propanamide
CID 110876397
ethyl (2S)-2-(4-methoxyanilino)-2-[(3S)-4-oxooxan-3-yl]acetate
CID 16730295
(2S)-1,2-dicyclohexyl-2-(4-methoxyanilino)ethanone
CID 134950990
ethyl 2-(4-methoxyanilino)-2-(thiolan-3-yl)acetate
CID 107133000

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-methoxyanilino)-2-(oxolan-3-yl)acetate?
The IUPAC name of methyl 2-(4-methoxyanilino)-2-(oxolan-3-yl)acetate (CID 54889486) is methyl 2-(4-methoxyanilino)-2-(oxolan-3-yl)acetate.
What is the SMILES notation for methyl 2-(4-methoxyanilino)-2-(oxolan-3-yl)acetate?
The canonical SMILES for methyl 2-(4-methoxyanilino)-2-(oxolan-3-yl)acetate is COC(=O)C(Nc1ccc(OC)cc1)C1CCOC1.
What is the InChIKey of methyl 2-(4-methoxyanilino)-2-(oxolan-3-yl)acetate?
The InChIKey is WQSPFFDSGGBNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-17-12-5-3-11(4-6-12)15-13(14(16)18-2)10-7-8-19-9-10/h3-6,10,13,15H,7-9H2,1-2H3.
What are the key properties of methyl 2-(4-methoxyanilino)-2-(oxolan-3-yl)acetate?
methyl 2-(4-methoxyanilino)-2-(oxolan-3-yl)acetate has a molecular weight of 265.31 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-methoxyanilino)-2-(oxolan-3-yl)acetate is sourced from PubChem (CID 54889486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).