methyl 2-(hexoxycarbonylamino)-5-hydroxybenzoate

C15H21NO5 — CID 139715304

IUPACmethyl 2-(hexoxycarbonylamino)-5-hydroxybenzoate
SMILESCCCCCCOC(=O)Nc1ccc(O)cc1C(=O)OC
InChIInChI=1S/C15H21NO5/c1-3-4-5-6-9-21-15(19)16-13-8-7-11(17)10-12(13)14(18)20-2/h7-8,10,17H,3-6,9H2,1-2H3,(H,16,19)
InChIKeyFLIBSZLKDYJUFD-UHFFFAOYSA-N
MW295.33 g/mol
LogP3.31
Rot. Bonds7

About methyl 2-(hexoxycarbonylamino)-5-hydroxybenzoate

methyl 2-(hexoxycarbonylamino)-5-hydroxybenzoate (PubChem CID 139715304) has the molecular formula C15H21NO5 and a molecular weight of 295.33 g/mol. Its IUPAC name is methyl 2-(hexoxycarbonylamino)-5-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 2-(hexoxycarbonylamino)-5-hydroxybenzoate
PubChem CID139715304
Molecular FormulaC15H21NO5
Molecular Weight295.33 g/mol
Exact Mass295.14
IUPAC Namemethyl 2-(hexoxycarbonylamino)-5-hydroxybenzoate
SMILESCCCCCCOC(=O)Nc1ccc(O)cc1C(=O)OC
InChIInChI=1S/C15H21NO5/c1-3-4-5-6-9-21-15(19)16-13-8-7-11(17)10-12(13)14(18)20-2/h7-8,10,17H,3-6,9H2,1-2H3,(H,16,19)
InChIKeyFLIBSZLKDYJUFD-UHFFFAOYSA-N
XLogP3.31
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(hexadecoxycarbonylamino)-6-hydroxybenzoate
CID 139715263
dodecyl N-(4-hydroxyphenyl)carbamate
CID 139715223
decyl N-(4-hydroxyphenyl)carbamate
CID 139715215
methyl 3-(butoxycarbonylamino)-2-hydroxybenzoate
CID 108745812
methyl 5-iodo-2-(nonoxycarbothioylamino)benzoate
CID 22116537
octyl N-(2,4-diaminophenyl)carbamate
CID 22315946
octyl N-[4-(4-hydroxyphenyl)phenyl]carbamate
CID 54463320
3-(decoxycarbonylamino)-2-hydroxybenzoic acid
CID 19000845
hexyl 2-acetamido-5-aminobenzoate
CID 157010770
dodecyl N-[4-(dodecoxycarbonylamino)phenyl]carbamate
CID 102360236
methyl 4-(decoxycarbonylamino)-2-decoxycarbonyloxybenzoate
CID 139740990
2-O-hexyl 1-O-methyl 4-methylbenzene-1,2-dicarboxylate
CID 175410101

Frequently Asked Questions

What is the IUPAC name of methyl 2-(hexoxycarbonylamino)-5-hydroxybenzoate?
The IUPAC name of methyl 2-(hexoxycarbonylamino)-5-hydroxybenzoate (CID 139715304) is methyl 2-(hexoxycarbonylamino)-5-hydroxybenzoate.
What is the SMILES notation for methyl 2-(hexoxycarbonylamino)-5-hydroxybenzoate?
The canonical SMILES for methyl 2-(hexoxycarbonylamino)-5-hydroxybenzoate is CCCCCCOC(=O)Nc1ccc(O)cc1C(=O)OC.
What is the InChIKey of methyl 2-(hexoxycarbonylamino)-5-hydroxybenzoate?
The InChIKey is FLIBSZLKDYJUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-3-4-5-6-9-21-15(19)16-13-8-7-11(17)10-12(13)14(18)20-2/h7-8,10,17H,3-6,9H2,1-2H3,(H,16,19).
What are the key properties of methyl 2-(hexoxycarbonylamino)-5-hydroxybenzoate?
methyl 2-(hexoxycarbonylamino)-5-hydroxybenzoate has a molecular weight of 295.33 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(hexoxycarbonylamino)-5-hydroxybenzoate is sourced from PubChem (CID 139715304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).