methyl 2-(N-(4-hydroxycyclohexene-1-carbonyl)anilino)acetate

C16H19NO4 — CID 54154320

IUPACmethyl 2-(N-(4-hydroxycyclohexene-1-carbonyl)anilino)acetate
SMILESCOC(=O)CN(C(=O)C1=CCC(O)CC1)c1ccccc1
InChIInChI=1S/C16H19NO4/c1-21-15(19)11-17(13-5-3-2-4-6-13)16(20)12-7-9-14(18)10-8-12/h2-7,14,18H,8-11H2,1H3
InChIKeyOJYLBKNQTBDQPI-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.66
Rot. Bonds4

About methyl 2-(N-(4-hydroxycyclohexene-1-carbonyl)anilino)acetate

methyl 2-(N-(4-hydroxycyclohexene-1-carbonyl)anilino)acetate (PubChem CID 54154320) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is methyl 2-(N-(4-hydroxycyclohexene-1-carbonyl)anilino)acetate.

Molecular Properties

Compound Namemethyl 2-(N-(4-hydroxycyclohexene-1-carbonyl)anilino)acetate
PubChem CID54154320
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Namemethyl 2-(N-(4-hydroxycyclohexene-1-carbonyl)anilino)acetate
SMILESCOC(=O)CN(C(=O)C1=CCC(O)CC1)c1ccccc1
InChIInChI=1S/C16H19NO4/c1-21-15(19)11-17(13-5-3-2-4-6-13)16(20)12-7-9-14(18)10-8-12/h2-7,14,18H,8-11H2,1H3
InChIKeyOJYLBKNQTBDQPI-UHFFFAOYSA-N
XLogP1.66
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(N-(4-hydroxycyclohexene-1-carbonyl)anilino)acetate?
The IUPAC name of methyl 2-(N-(4-hydroxycyclohexene-1-carbonyl)anilino)acetate (CID 54154320) is methyl 2-(N-(4-hydroxycyclohexene-1-carbonyl)anilino)acetate.
What is the SMILES notation for methyl 2-(N-(4-hydroxycyclohexene-1-carbonyl)anilino)acetate?
The canonical SMILES for methyl 2-(N-(4-hydroxycyclohexene-1-carbonyl)anilino)acetate is COC(=O)CN(C(=O)C1=CCC(O)CC1)c1ccccc1.
What is the InChIKey of methyl 2-(N-(4-hydroxycyclohexene-1-carbonyl)anilino)acetate?
The InChIKey is OJYLBKNQTBDQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-21-15(19)11-17(13-5-3-2-4-6-13)16(20)12-7-9-14(18)10-8-12/h2-7,14,18H,8-11H2,1H3.
What are the key properties of methyl 2-(N-(4-hydroxycyclohexene-1-carbonyl)anilino)acetate?
methyl 2-(N-(4-hydroxycyclohexene-1-carbonyl)anilino)acetate has a molecular weight of 289.33 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(N-(4-hydroxycyclohexene-1-carbonyl)anilino)acetate is sourced from PubChem (CID 54154320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).