methyl 2-[2-[hydroxy-(1-methoxynaphthalen-2-yl)carbamoyl]phenyl]acetate

C21H19NO5 — CID 19877572

IUPACmethyl 2-[2-[hydroxy-(1-methoxynaphthalen-2-yl)carbamoyl]phenyl]acetate
SMILESCOC(=O)Cc1ccccc1C(=O)N(O)c1ccc2ccccc2c1OC
InChIInChI=1S/C21H19NO5/c1-26-19(23)13-15-8-4-6-10-17(15)21(24)22(25)18-12-11-14-7-3-5-9-16(14)20(18)27-2/h3-12,25H,13H2,1-2H3
InChIKeyADWLNKDIZRPBLF-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.60
Rot. Bonds5

About methyl 2-[2-[hydroxy-(1-methoxynaphthalen-2-yl)carbamoyl]phenyl]acetate

methyl 2-[2-[hydroxy-(1-methoxynaphthalen-2-yl)carbamoyl]phenyl]acetate (PubChem CID 19877572) has the molecular formula C21H19NO5 and a molecular weight of 365.39 g/mol. Its IUPAC name is methyl 2-[2-[hydroxy-(1-methoxynaphthalen-2-yl)carbamoyl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[hydroxy-(1-methoxynaphthalen-2-yl)carbamoyl]phenyl]acetate
PubChem CID19877572
Molecular FormulaC21H19NO5
Molecular Weight365.39 g/mol
Exact Mass365.13
IUPAC Namemethyl 2-[2-[hydroxy-(1-methoxynaphthalen-2-yl)carbamoyl]phenyl]acetate
SMILESCOC(=O)Cc1ccccc1C(=O)N(O)c1ccc2ccccc2c1OC
InChIInChI=1S/C21H19NO5/c1-26-19(23)13-15-8-4-6-10-17(15)21(24)22(25)18-12-11-14-7-3-5-9-16(14)20(18)27-2/h3-12,25H,13H2,1-2H3
InChIKeyADWLNKDIZRPBLF-UHFFFAOYSA-N
XLogP3.60
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[hydroxy-(1-methoxynaphthalen-2-yl)carbamoyl]phenyl]acetate?
The IUPAC name of methyl 2-[2-[hydroxy-(1-methoxynaphthalen-2-yl)carbamoyl]phenyl]acetate (CID 19877572) is methyl 2-[2-[hydroxy-(1-methoxynaphthalen-2-yl)carbamoyl]phenyl]acetate.
What is the SMILES notation for methyl 2-[2-[hydroxy-(1-methoxynaphthalen-2-yl)carbamoyl]phenyl]acetate?
The canonical SMILES for methyl 2-[2-[hydroxy-(1-methoxynaphthalen-2-yl)carbamoyl]phenyl]acetate is COC(=O)Cc1ccccc1C(=O)N(O)c1ccc2ccccc2c1OC.
What is the InChIKey of methyl 2-[2-[hydroxy-(1-methoxynaphthalen-2-yl)carbamoyl]phenyl]acetate?
The InChIKey is ADWLNKDIZRPBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO5/c1-26-19(23)13-15-8-4-6-10-17(15)21(24)22(25)18-12-11-14-7-3-5-9-16(14)20(18)27-2/h3-12,25H,13H2,1-2H3.
What are the key properties of methyl 2-[2-[hydroxy-(1-methoxynaphthalen-2-yl)carbamoyl]phenyl]acetate?
methyl 2-[2-[hydroxy-(1-methoxynaphthalen-2-yl)carbamoyl]phenyl]acetate has a molecular weight of 365.39 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[hydroxy-(1-methoxynaphthalen-2-yl)carbamoyl]phenyl]acetate is sourced from PubChem (CID 19877572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).