methyl 2-anilino-2-(oxan-4-yl)acetate

C14H19NO3 — CID 62386905

IUPACmethyl 2-anilino-2-(oxan-4-yl)acetate
SMILESCOC(=O)C(Nc1ccccc1)C1CCOCC1
InChIInChI=1S/C14H19NO3/c1-17-14(16)13(11-7-9-18-10-8-11)15-12-5-3-2-4-6-12/h2-6,11,13,15H,7-10H2,1H3
InChIKeyKUJAOHKNZFEKSJ-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.07
Rot. Bonds4

About methyl 2-anilino-2-(oxan-4-yl)acetate

methyl 2-anilino-2-(oxan-4-yl)acetate (PubChem CID 62386905) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is methyl 2-anilino-2-(oxan-4-yl)acetate.

Molecular Properties

Compound Namemethyl 2-anilino-2-(oxan-4-yl)acetate
PubChem CID62386905
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Namemethyl 2-anilino-2-(oxan-4-yl)acetate
SMILESCOC(=O)C(Nc1ccccc1)C1CCOCC1
InChIInChI=1S/C14H19NO3/c1-17-14(16)13(11-7-9-18-10-8-11)15-12-5-3-2-4-6-12/h2-6,11,13,15H,7-10H2,1H3
InChIKeyKUJAOHKNZFEKSJ-UHFFFAOYSA-N
XLogP2.07
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(4-methoxyanilino)-2-(oxolan-3-yl)acetate
CID 54889486
methyl 2-(4-chloroanilino)-2-(oxolan-3-yl)acetate
CID 54890745
ethyl 2-(4-chloroanilino)-2-(oxan-4-yl)acetate
CID 62387239
methyl 2-(2-bromoanilino)-2-(oxolan-3-yl)acetate
CID 54890349
methyl 2-anilino-2-(3,5-dimethylcyclohex-3-en-1-yl)acetate
CID 103277276
2-(3-fluoroanilino)-2-(oxan-4-yl)acetic acid
CID 62384897
methyl 2-(3-fluoroanilino)-2-(oxan-3-yl)acetate
CID 63740597
methyl 2-(3-fluoro-5-methylanilino)-2-(oxolan-3-yl)acetate
CID 79049491
2-anilino-2-cyclohexylacetamide
CID 54889288
2-(3-methoxyanilino)-2-(oxolan-3-yl)acetic acid
CID 54890217
methyl 2-cyclopropyl-2-[3-(1,1-difluoroethyl)anilino]acetate
CID 167814164
ethyl 2-(4-bromoanilino)-2-(oxolan-3-yl)acetate
CID 54890681

Frequently Asked Questions

What is the IUPAC name of methyl 2-anilino-2-(oxan-4-yl)acetate?
The IUPAC name of methyl 2-anilino-2-(oxan-4-yl)acetate (CID 62386905) is methyl 2-anilino-2-(oxan-4-yl)acetate.
What is the SMILES notation for methyl 2-anilino-2-(oxan-4-yl)acetate?
The canonical SMILES for methyl 2-anilino-2-(oxan-4-yl)acetate is COC(=O)C(Nc1ccccc1)C1CCOCC1.
What is the InChIKey of methyl 2-anilino-2-(oxan-4-yl)acetate?
The InChIKey is KUJAOHKNZFEKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-17-14(16)13(11-7-9-18-10-8-11)15-12-5-3-2-4-6-12/h2-6,11,13,15H,7-10H2,1H3.
What are the key properties of methyl 2-anilino-2-(oxan-4-yl)acetate?
methyl 2-anilino-2-(oxan-4-yl)acetate has a molecular weight of 249.31 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-anilino-2-(oxan-4-yl)acetate is sourced from PubChem (CID 62386905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).