N,N-dihydroxy-3-methoxybenzamide

C8H9NO4 — CID 91426750

IUPACN,N-dihydroxy-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N(O)O)c1
InChIInChI=1S/C8H9NO4/c1-13-7-4-2-3-6(5-7)8(10)9(11)12/h2-5,11-12H,1H3
InChIKeyQRXUZIQRMAUPLQ-UHFFFAOYSA-N
MW183.16 g/mol
LogP0.92
Rot. Bonds2

About N,N-dihydroxy-3-methoxybenzamide

N,N-dihydroxy-3-methoxybenzamide (PubChem CID 91426750) has the molecular formula C8H9NO4 and a molecular weight of 183.16 g/mol. Its IUPAC name is N,N-dihydroxy-3-methoxybenzamide.

Molecular Properties

Compound NameN,N-dihydroxy-3-methoxybenzamide
PubChem CID91426750
Molecular FormulaC8H9NO4
Molecular Weight183.16 g/mol
Exact Mass183.05
IUPAC NameN,N-dihydroxy-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N(O)O)c1
InChIInChI=1S/C8H9NO4/c1-13-7-4-2-3-6(5-7)8(10)9(11)12/h2-5,11-12H,1H3
InChIKeyQRXUZIQRMAUPLQ-UHFFFAOYSA-N
XLogP0.92
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N-ethyl-3-methoxy-N-methylbenzamide
CID 15816607
3-methoxy-N,N-dipropylbenzamide
CID 669439
methyl 2-[(3-methoxybenzoyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 62952792
3-methoxy-N-(4-methoxyphenyl)-N-phenylbenzamide
CID 23582269
3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 22070414
N,N-bis(2-cyanoethyl)-3-methoxybenzamide
CID 4626859
N-(1-bromopropan-2-yl)-3-methoxy-N-methylbenzamide
CID 104555963
N-ethyl-3-methoxy-N-phenylbenzamide
CID 3345220
2-hydroxy-1-(3-methoxyphenyl)ethanone
CID 23505111
2-(3-methoxyphenyl)-2-oxoacetamide
CID 116924501
2-(N-(3-methoxybenzoyl)anilino)acetic acid
CID 28765030
N-(2-bromoethyl)-N-ethyl-3-methoxybenzamide
CID 80659973

Frequently Asked Questions

What is the IUPAC name of N,N-dihydroxy-3-methoxybenzamide?
The IUPAC name of N,N-dihydroxy-3-methoxybenzamide (CID 91426750) is N,N-dihydroxy-3-methoxybenzamide.
What is the SMILES notation for N,N-dihydroxy-3-methoxybenzamide?
The canonical SMILES for N,N-dihydroxy-3-methoxybenzamide is COc1cccc(C(=O)N(O)O)c1.
What is the InChIKey of N,N-dihydroxy-3-methoxybenzamide?
The InChIKey is QRXUZIQRMAUPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4/c1-13-7-4-2-3-6(5-7)8(10)9(11)12/h2-5,11-12H,1H3.
What are the key properties of N,N-dihydroxy-3-methoxybenzamide?
N,N-dihydroxy-3-methoxybenzamide has a molecular weight of 183.16 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dihydroxy-3-methoxybenzamide is sourced from PubChem (CID 91426750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).