methyl N-[4-[[7-(hydroxycarbamoyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]phenyl]carbamate

C19H20N2O5 — CID 123209447

IUPACmethyl N-[4-[[7-(hydroxycarbamoyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(Oc2ccc3c(c2)CC(C(=O)NO)CC3)cc1
InChIInChI=1S/C19H20N2O5/c1-25-19(23)20-15-5-8-16(9-6-15)26-17-7-4-12-2-3-13(18(22)21-24)10-14(12)11-17/h4-9,11,13,24H,2-3,10H2,1H3,(H,20,23)(H,21,22)
InChIKeyPCNSATIBZFFUNT-UHFFFAOYSA-N
MW356.38 g/mol
LogP3.27
Rot. Bonds4

About methyl N-[4-[[7-(hydroxycarbamoyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]phenyl]carbamate

methyl N-[4-[[7-(hydroxycarbamoyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]phenyl]carbamate (PubChem CID 123209447) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is methyl N-[4-[[7-(hydroxycarbamoyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[[7-(hydroxycarbamoyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]phenyl]carbamate
PubChem CID123209447
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Namemethyl N-[4-[[7-(hydroxycarbamoyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(Oc2ccc3c(c2)CC(C(=O)NO)CC3)cc1
InChIInChI=1S/C19H20N2O5/c1-25-19(23)20-15-5-8-16(9-6-15)26-17-7-4-12-2-3-13(18(22)21-24)10-14(12)11-17/h4-9,11,13,24H,2-3,10H2,1H3,(H,20,23)(H,21,22)
InChIKeyPCNSATIBZFFUNT-UHFFFAOYSA-N
XLogP3.27
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 53.27
H-Bond Donors ≤ 53
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

(2S)-7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 56601558
N-hydroxy-6-[4-(pyrrolidin-3-ylcarbamoyl)phenoxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 58055330
(2S)-7-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 10632089
7-[3-(methylcarbamoylamino)phenoxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 123380177
methyl N-[4-[[(7S)-7-[[3-(aminomethyl)-5-(trifluoromethyl)phenyl]carbamoyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-2-pyridinyl]carbamate
CID 123961872
7-[3-(cyclopropanecarbonylamino)phenyl]-N-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 56601360
6-(butanoylamino)-N-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 58055291
(2S)-7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 58055283
7-[(2-acetamido-4-pyridinyl)oxy]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 23585028
methyl N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]carbamate
CID 108742490
tert-butyl N-(7-acetyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)carbamate
CID 168876766
N-hydroxy-7-(2-phenylethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 58055219

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[[7-(hydroxycarbamoyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]phenyl]carbamate?
The IUPAC name of methyl N-[4-[[7-(hydroxycarbamoyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]phenyl]carbamate (CID 123209447) is methyl N-[4-[[7-(hydroxycarbamoyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[[7-(hydroxycarbamoyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[[7-(hydroxycarbamoyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]phenyl]carbamate is COC(=O)Nc1ccc(Oc2ccc3c(c2)CC(C(=O)NO)CC3)cc1.
What is the InChIKey of methyl N-[4-[[7-(hydroxycarbamoyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]phenyl]carbamate?
The InChIKey is PCNSATIBZFFUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-25-19(23)20-15-5-8-16(9-6-15)26-17-7-4-12-2-3-13(18(22)21-24)10-14(12)11-17/h4-9,11,13,24H,2-3,10H2,1H3,(H,20,23)(H,21,22).
What are the key properties of methyl N-[4-[[7-(hydroxycarbamoyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]phenyl]carbamate?
methyl N-[4-[[7-(hydroxycarbamoyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]phenyl]carbamate has a molecular weight of 356.38 g/mol, XLogP of 3.27, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[[7-(hydroxycarbamoyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]phenyl]carbamate is sourced from PubChem (CID 123209447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).