benzyl N-[5-(hydroxyamino)-2-methoxyphenyl]carbamate

C15H16N2O4 — CID 142143785

IUPACbenzyl N-[5-(hydroxyamino)-2-methoxyphenyl]carbamate
SMILESCOc1ccc(NO)cc1NC(=O)OCc1ccccc1
InChIInChI=1S/C15H16N2O4/c1-20-14-8-7-12(17-19)9-13(14)16-15(18)21-10-11-5-3-2-4-6-11/h2-9,17,19H,10H2,1H3,(H,16,18)
InChIKeyFHIDZJKJDKHYCS-UHFFFAOYSA-N
MW288.30 g/mol
LogP3.24
Rot. Bonds5

About benzyl N-[5-(hydroxyamino)-2-methoxyphenyl]carbamate

benzyl N-[5-(hydroxyamino)-2-methoxyphenyl]carbamate (PubChem CID 142143785) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is benzyl N-[5-(hydroxyamino)-2-methoxyphenyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[5-(hydroxyamino)-2-methoxyphenyl]carbamate
PubChem CID142143785
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Namebenzyl N-[5-(hydroxyamino)-2-methoxyphenyl]carbamate
SMILESCOc1ccc(NO)cc1NC(=O)OCc1ccccc1
InChIInChI=1S/C15H16N2O4/c1-20-14-8-7-12(17-19)9-13(14)16-15(18)21-10-11-5-3-2-4-6-11/h2-9,17,19H,10H2,1H3,(H,16,18)
InChIKeyFHIDZJKJDKHYCS-UHFFFAOYSA-N
XLogP3.24
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-[4-(4-methoxy-5-oxocyclohepta-1,3,6-trien-1-yl)phenyl]carbamate
CID 22403841
benzyl N-(4-amino-3-methoxyphenyl)carbamate
CID 154476991
(4-fluorophenyl)methyl N-(5-chloro-2-methoxyphenyl)carbamate
CID 4643203
benzyl N-(2-tert-butyl-5-methoxy-4-pyridinyl)carbamate
CID 91489110
benzyl N-(7-methoxy-4-oxo-1H-quinolin-6-yl)carbamate
CID 58931364
benzyl N-(2,5-dimethoxyanilino)carbamate
CID 141011379
benzyl N-[(2S)-1-(5-chloro-2-methoxyanilino)-3-methyl-1-oxobutan-2-yl]carbamate
CID 126005930
benzyl N-(4-bromo-2,6-dimethoxyphenyl)carbamate
CID 22933103
benzyl N-(4-carbamoyl-2-chloro-5-methoxyphenyl)carbamate
CID 173319571
benzyl N-[4-(4-methoxyphenyl)phenyl]carbamate
CID 102104858
benzyl N-[4-(methanesulfonamido)-2,6-dimethoxyphenyl]carbamate
CID 131862352
benzyl N-(3-methoxynaphthalen-1-yl)carbamate
CID 23023062

Frequently Asked Questions

What is the IUPAC name of benzyl N-[5-(hydroxyamino)-2-methoxyphenyl]carbamate?
The IUPAC name of benzyl N-[5-(hydroxyamino)-2-methoxyphenyl]carbamate (CID 142143785) is benzyl N-[5-(hydroxyamino)-2-methoxyphenyl]carbamate.
What is the SMILES notation for benzyl N-[5-(hydroxyamino)-2-methoxyphenyl]carbamate?
The canonical SMILES for benzyl N-[5-(hydroxyamino)-2-methoxyphenyl]carbamate is COc1ccc(NO)cc1NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[5-(hydroxyamino)-2-methoxyphenyl]carbamate?
The InChIKey is FHIDZJKJDKHYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-20-14-8-7-12(17-19)9-13(14)16-15(18)21-10-11-5-3-2-4-6-11/h2-9,17,19H,10H2,1H3,(H,16,18).
What are the key properties of benzyl N-[5-(hydroxyamino)-2-methoxyphenyl]carbamate?
benzyl N-[5-(hydroxyamino)-2-methoxyphenyl]carbamate has a molecular weight of 288.30 g/mol, XLogP of 3.24, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[5-(hydroxyamino)-2-methoxyphenyl]carbamate is sourced from PubChem (CID 142143785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).