[5-[2-(benzylamino)acetyl]-2-hydroxyphenyl] formate

C16H15NO4 — CID 155212785

IUPAC[5-[2-(benzylamino)acetyl]-2-hydroxyphenyl] formate
SMILESO=COc1cc(C(=O)CNCc2ccccc2)ccc1O
InChIInChI=1S/C16H15NO4/c18-11-21-16-8-13(6-7-14(16)19)15(20)10-17-9-12-4-2-1-3-5-12/h1-8,11,17,19H,9-10H2
InChIKeyHKJHUISJIJFGKW-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.90
Rot. Bonds7

About [5-[2-(benzylamino)acetyl]-2-hydroxyphenyl] formate

[5-[2-(benzylamino)acetyl]-2-hydroxyphenyl] formate (PubChem CID 155212785) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is [5-[2-(benzylamino)acetyl]-2-hydroxyphenyl] formate.

Molecular Properties

Compound Name[5-[2-(benzylamino)acetyl]-2-hydroxyphenyl] formate
PubChem CID155212785
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name[5-[2-(benzylamino)acetyl]-2-hydroxyphenyl] formate
SMILESO=COc1cc(C(=O)CNCc2ccccc2)ccc1O
InChIInChI=1S/C16H15NO4/c18-11-21-16-8-13(6-7-14(16)19)15(20)10-17-9-12-4-2-1-3-5-12/h1-8,11,17,19H,9-10H2
InChIKeyHKJHUISJIJFGKW-UHFFFAOYSA-N
XLogP1.90
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,3-bis(4-hydroxy-3-methoxyphenyl)propane-1,3-dione
CID 143339753
N-[3-[(phenacylamino)methyl]phenyl]formamide
CID 58789041
2-[[2-(3,4-dihydroxyphenyl)-2-oxoethyl]amino]acetic acid
CID 45092844
2-(benzylamino)-1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone
CID 82261178
1-(4-methylphenyl)-2-[(4-methylphenyl)methylamino]ethanone
CID 82101223
1-(3-amino-4-methoxyphenyl)-2-[(4-methoxyphenyl)methylamino]ethanone
CID 82258345
1-(3-amino-4-ethoxyphenyl)-2-(pyridin-3-ylmethylamino)ethanone
CID 82258581
3-(benzylamino)-1-(3-hydroxyphenyl)propan-1-one
CID 53446398
4-[[[2-(4-chlorophenyl)-2-oxoethyl]amino]methyl]benzoic acid
CID 82104497
3-formyloxy-4-phenylbenzoic acid
CID 88506410
N-[(benzylamino)methyl]formamide
CID 12511023
2-(benzylamino)acetohydrazide
CID 15118563

Frequently Asked Questions

What is the IUPAC name of [5-[2-(benzylamino)acetyl]-2-hydroxyphenyl] formate?
The IUPAC name of [5-[2-(benzylamino)acetyl]-2-hydroxyphenyl] formate (CID 155212785) is [5-[2-(benzylamino)acetyl]-2-hydroxyphenyl] formate.
What is the SMILES notation for [5-[2-(benzylamino)acetyl]-2-hydroxyphenyl] formate?
The canonical SMILES for [5-[2-(benzylamino)acetyl]-2-hydroxyphenyl] formate is O=COc1cc(C(=O)CNCc2ccccc2)ccc1O.
What is the InChIKey of [5-[2-(benzylamino)acetyl]-2-hydroxyphenyl] formate?
The InChIKey is HKJHUISJIJFGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c18-11-21-16-8-13(6-7-14(16)19)15(20)10-17-9-12-4-2-1-3-5-12/h1-8,11,17,19H,9-10H2.
What are the key properties of [5-[2-(benzylamino)acetyl]-2-hydroxyphenyl] formate?
[5-[2-(benzylamino)acetyl]-2-hydroxyphenyl] formate has a molecular weight of 285.30 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(benzylamino)acetyl]-2-hydroxyphenyl] formate is sourced from PubChem (CID 155212785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).