1-N-(3,4-dimethoxyphenyl)-4-N-hydroxybenzene-1,4-dicarboxamide

C16H16N2O5 — CID 126493303

IUPAC1-N-(3,4-dimethoxyphenyl)-4-N-hydroxybenzene-1,4-dicarboxamide
SMILESCOc1ccc(NC(=O)c2ccc(C(=O)NO)cc2)cc1OC
InChIInChI=1S/C16H16N2O5/c1-22-13-8-7-12(9-14(13)23-2)17-15(19)10-3-5-11(6-4-10)16(20)18-21/h3-9,21H,1-2H3,(H,17,19)(H,18,20)
InChIKeyPJXBEQKLAQEAGS-UHFFFAOYSA-N
MW316.31 g/mol
LogP2.08
Rot. Bonds5

About 1-N-(3,4-dimethoxyphenyl)-4-N-hydroxybenzene-1,4-dicarboxamide

1-N-(3,4-dimethoxyphenyl)-4-N-hydroxybenzene-1,4-dicarboxamide (PubChem CID 126493303) has the molecular formula C16H16N2O5 and a molecular weight of 316.31 g/mol. Its IUPAC name is 1-N-(3,4-dimethoxyphenyl)-4-N-hydroxybenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(3,4-dimethoxyphenyl)-4-N-hydroxybenzene-1,4-dicarboxamide
PubChem CID126493303
Molecular FormulaC16H16N2O5
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC Name1-N-(3,4-dimethoxyphenyl)-4-N-hydroxybenzene-1,4-dicarboxamide
SMILESCOc1ccc(NC(=O)c2ccc(C(=O)NO)cc2)cc1OC
InChIInChI=1S/C16H16N2O5/c1-22-13-8-7-12(9-14(13)23-2)17-15(19)10-3-5-11(6-4-10)16(20)18-21/h3-9,21H,1-2H3,(H,17,19)(H,18,20)
InChIKeyPJXBEQKLAQEAGS-UHFFFAOYSA-N
XLogP2.08
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 52.08
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

1-N,4-N-bis(4-ethoxy-3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 24645019
4-carbamimidoyl-N-(3,4-dimethoxyphenyl)benzamide
CID 6452760
1-N-(3,4-dimethoxyphenyl)-4-N-(2-methylphenyl)benzene-1,4-dicarboxamide
CID 109049317
3,4-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 110776412
N-(4-bromophenyl)-3,4-dimethoxybenzamide
CID 855033
N-[4-(3,4-dimethoxyanilino)phenyl]-4-methoxybenzamide
CID 112987995
N-(3,4-dimethoxyphenyl)-4-[(E)-methoxyiminomethyl]benzamide
CID 134059556
4-N-(3,4-dimethoxyphenyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045361
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3,4-dimethoxybenzamide
CID 15994045
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184
N-(3,4-dimethoxyphenyl)-4-fluoro-3-methylbenzamide
CID 63212434
4-N-(3,4-dimethoxyphenyl)-1-N-pentylbenzene-1,4-dicarboxamide
CID 109048755

Frequently Asked Questions

What is the IUPAC name of 1-N-(3,4-dimethoxyphenyl)-4-N-hydroxybenzene-1,4-dicarboxamide?
The IUPAC name of 1-N-(3,4-dimethoxyphenyl)-4-N-hydroxybenzene-1,4-dicarboxamide (CID 126493303) is 1-N-(3,4-dimethoxyphenyl)-4-N-hydroxybenzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(3,4-dimethoxyphenyl)-4-N-hydroxybenzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-(3,4-dimethoxyphenyl)-4-N-hydroxybenzene-1,4-dicarboxamide is COc1ccc(NC(=O)c2ccc(C(=O)NO)cc2)cc1OC.
What is the InChIKey of 1-N-(3,4-dimethoxyphenyl)-4-N-hydroxybenzene-1,4-dicarboxamide?
The InChIKey is PJXBEQKLAQEAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5/c1-22-13-8-7-12(9-14(13)23-2)17-15(19)10-3-5-11(6-4-10)16(20)18-21/h3-9,21H,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 1-N-(3,4-dimethoxyphenyl)-4-N-hydroxybenzene-1,4-dicarboxamide?
1-N-(3,4-dimethoxyphenyl)-4-N-hydroxybenzene-1,4-dicarboxamide has a molecular weight of 316.31 g/mol, XLogP of 2.08, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3,4-dimethoxyphenyl)-4-N-hydroxybenzene-1,4-dicarboxamide is sourced from PubChem (CID 126493303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).