methyl 2-[3-[hydroxy-(1-hydroxynaphthalen-2-yl)carbamoyl]phenyl]acetate

C20H17NO5 — CID 15728708

IUPACmethyl 2-[3-[hydroxy-(1-hydroxynaphthalen-2-yl)carbamoyl]phenyl]acetate
SMILESCOC(=O)Cc1cccc(C(=O)N(O)c2ccc3ccccc3c2O)c1
InChIInChI=1S/C20H17NO5/c1-26-18(22)12-13-5-4-7-15(11-13)20(24)21(25)17-10-9-14-6-2-3-8-16(14)19(17)23/h2-11,23,25H,12H2,1H3
InChIKeyUMHLTTNFDRTLAQ-UHFFFAOYSA-N
MW351.36 g/mol
LogP3.30
Rot. Bonds4

About methyl 2-[3-[hydroxy-(1-hydroxynaphthalen-2-yl)carbamoyl]phenyl]acetate

methyl 2-[3-[hydroxy-(1-hydroxynaphthalen-2-yl)carbamoyl]phenyl]acetate (PubChem CID 15728708) has the molecular formula C20H17NO5 and a molecular weight of 351.36 g/mol. Its IUPAC name is methyl 2-[3-[hydroxy-(1-hydroxynaphthalen-2-yl)carbamoyl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[hydroxy-(1-hydroxynaphthalen-2-yl)carbamoyl]phenyl]acetate
PubChem CID15728708
Molecular FormulaC20H17NO5
Molecular Weight351.36 g/mol
Exact Mass351.11
IUPAC Namemethyl 2-[3-[hydroxy-(1-hydroxynaphthalen-2-yl)carbamoyl]phenyl]acetate
SMILESCOC(=O)Cc1cccc(C(=O)N(O)c2ccc3ccccc3c2O)c1
InChIInChI=1S/C20H17NO5/c1-26-18(22)12-13-5-4-7-15(11-13)20(24)21(25)17-10-9-14-6-2-3-8-16(14)19(17)23/h2-11,23,25H,12H2,1H3
InChIKeyUMHLTTNFDRTLAQ-UHFFFAOYSA-N
XLogP3.30
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 53.30
H-Bond Donors ≤ 52
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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Related Compounds

methyl 4-[hydroxy-(1-hydroxynaphthalen-2-yl)carbamoyl]benzoate
CID 19877623
methyl 2-[hydroxy-(1-hydroxynaphthalen-2-yl)carbamoyl]benzoate
CID 19877638
methyl 2-[2-[hydroxy-(1-hydroxynaphthalen-2-yl)amino]-2-oxoethyl]benzoate
CID 19877556
methyl 2-[2-[hydroxy-(1-methoxynaphthalen-2-yl)carbamoyl]phenyl]acetate
CID 19877572
methyl 2-[3-[(2-chlorophenyl)-ethylcarbamoyl]phenyl]acetate
CID 167956710
methyl 2-(3-carbamothioylphenyl)acetate
CID 155859053
methyl 2-[3-(2-bromoacetyl)phenyl]acetate
CID 19356183
N-hydroxy-N-naphthalen-1-ylbenzamide
CID 12512835
methyl 2-[3-(1H-indole-3-carbonyl)phenyl]acetate
CID 139497293
methyl 2-[3-(2-chloropropanoyl)phenyl]acetate
CID 174530550
N,N-dimethyl-3-[[(2-naphthalen-1-ylacetyl)amino]methyl]benzamide
CID 46424485
methyl 2-[3-(naphthalene-2-carbonylamino)phenyl]acetate
CID 70091613

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[hydroxy-(1-hydroxynaphthalen-2-yl)carbamoyl]phenyl]acetate?
The IUPAC name of methyl 2-[3-[hydroxy-(1-hydroxynaphthalen-2-yl)carbamoyl]phenyl]acetate (CID 15728708) is methyl 2-[3-[hydroxy-(1-hydroxynaphthalen-2-yl)carbamoyl]phenyl]acetate.
What is the SMILES notation for methyl 2-[3-[hydroxy-(1-hydroxynaphthalen-2-yl)carbamoyl]phenyl]acetate?
The canonical SMILES for methyl 2-[3-[hydroxy-(1-hydroxynaphthalen-2-yl)carbamoyl]phenyl]acetate is COC(=O)Cc1cccc(C(=O)N(O)c2ccc3ccccc3c2O)c1.
What is the InChIKey of methyl 2-[3-[hydroxy-(1-hydroxynaphthalen-2-yl)carbamoyl]phenyl]acetate?
The InChIKey is UMHLTTNFDRTLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO5/c1-26-18(22)12-13-5-4-7-15(11-13)20(24)21(25)17-10-9-14-6-2-3-8-16(14)19(17)23/h2-11,23,25H,12H2,1H3.
What are the key properties of methyl 2-[3-[hydroxy-(1-hydroxynaphthalen-2-yl)carbamoyl]phenyl]acetate?
methyl 2-[3-[hydroxy-(1-hydroxynaphthalen-2-yl)carbamoyl]phenyl]acetate has a molecular weight of 351.36 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[hydroxy-(1-hydroxynaphthalen-2-yl)carbamoyl]phenyl]acetate is sourced from PubChem (CID 15728708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).