2-[(3,5-dimethoxyphenyl)methoxy]-N'-hydroxy-N-phenyloctanediamide

C23H30N2O6 — CID 24779723

IUPAC2-[(3,5-dimethoxyphenyl)methoxy]-N'-hydroxy-N-phenyloctanediamide
SMILESCOc1cc(COC(CCCCCC(=O)NO)C(=O)Nc2ccccc2)cc(OC)c1
InChIInChI=1S/C23H30N2O6/c1-29-19-13-17(14-20(15-19)30-2)16-31-21(11-7-4-8-12-22(26)25-28)23(27)24-18-9-5-3-6-10-18/h3,5-6,9-10,13-15,21,28H,4,7-8,11-12,16H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyFAZDTHDVYBDIPU-UHFFFAOYSA-N
MW430.50 g/mol
LogP3.68
Rot. Bonds13

About 2-[(3,5-dimethoxyphenyl)methoxy]-N'-hydroxy-N-phenyloctanediamide

2-[(3,5-dimethoxyphenyl)methoxy]-N'-hydroxy-N-phenyloctanediamide (PubChem CID 24779723) has the molecular formula C23H30N2O6 and a molecular weight of 430.50 g/mol. Its IUPAC name is 2-[(3,5-dimethoxyphenyl)methoxy]-N'-hydroxy-N-phenyloctanediamide.

Molecular Properties

Compound Name2-[(3,5-dimethoxyphenyl)methoxy]-N'-hydroxy-N-phenyloctanediamide
PubChem CID24779723
Molecular FormulaC23H30N2O6
Molecular Weight430.50 g/mol
Exact Mass430.21
IUPAC Name2-[(3,5-dimethoxyphenyl)methoxy]-N'-hydroxy-N-phenyloctanediamide
SMILESCOc1cc(COC(CCCCCC(=O)NO)C(=O)Nc2ccccc2)cc(OC)c1
InChIInChI=1S/C23H30N2O6/c1-29-19-13-17(14-20(15-19)30-2)16-31-21(11-7-4-8-12-22(26)25-28)23(27)24-18-9-5-3-6-10-18/h3,5-6,9-10,13-15,21,28H,4,7-8,11-12,16H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyFAZDTHDVYBDIPU-UHFFFAOYSA-N
XLogP3.68
TPSA106.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-hydroxy-6-[(12S,15Z)-19-methoxy-11-oxo-3,13-dioxa-10-azatricyclo[15.3.1.04,9]henicosa-1(21),4,6,8,15,17,19-heptaen-12-yl]hexanamide
CID 25227504
[1-(4-Ethylanilino)-1-oxopropan-2-yl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 4564616
2-[[2-(3-Methoxyphenoxy)-1-oxoethyl]amino]benzamide
CID 659792
2-(4-methoxybenzyloxy)-N8-hydroxy-N1-phenyloctanediamide
CID 24779722
(2S)-N'-hydroxy-2-[(4-methoxyphenyl)methoxy]-N-phenyloctanediamide
CID 25065102
(2R)-N'-hydroxy-2-[(4-methoxyphenyl)methoxy]-N-phenyloctanediamide
CID 25065309
N'-hydroxy-2-[(3-methoxyphenyl)methoxy]-N-phenyloctanediamide
CID 25066137
2-(benzyloxy)-N8-hydroxy-N1-(4-methoxyphenyl)octanediamide
CID 25066140
2-(4-methoxybenzyloxy)-N8-hydroxy-N1-(4-methoxyphenyl)octanediamide
CID 25066350
N-hydroxy-6-[(15Z)-19-methoxy-11-oxo-3,13-dioxa-10-azatricyclo[15.3.1.04,9]henicosa-1(21),4,6,8,15,17,19-heptaen-12-yl]hexanamide
CID 25066548
N-hydroxy-6-(19-methoxy-11-oxo-3,13-dioxa-10-azatricyclo[15.3.1.04,9]henicosa-1(20),4,6,8,17(21),18-hexaen-12-yl)hexanamide
CID 25066549
N-hydroxy-2-[4-[[2-(4-octylphenoxy)acetyl]amino]phenyl]acetamide
CID 134519174

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethoxyphenyl)methoxy]-N'-hydroxy-N-phenyloctanediamide?
The IUPAC name of 2-[(3,5-dimethoxyphenyl)methoxy]-N'-hydroxy-N-phenyloctanediamide (CID 24779723) is 2-[(3,5-dimethoxyphenyl)methoxy]-N'-hydroxy-N-phenyloctanediamide.
What is the SMILES notation for 2-[(3,5-dimethoxyphenyl)methoxy]-N'-hydroxy-N-phenyloctanediamide?
The canonical SMILES for 2-[(3,5-dimethoxyphenyl)methoxy]-N'-hydroxy-N-phenyloctanediamide is COc1cc(COC(CCCCCC(=O)NO)C(=O)Nc2ccccc2)cc(OC)c1.
What is the InChIKey of 2-[(3,5-dimethoxyphenyl)methoxy]-N'-hydroxy-N-phenyloctanediamide?
The InChIKey is FAZDTHDVYBDIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O6/c1-29-19-13-17(14-20(15-19)30-2)16-31-21(11-7-4-8-12-22(26)25-28)23(27)24-18-9-5-3-6-10-18/h3,5-6,9-10,13-15,21,28H,4,7-8,11-12,16H2,1-2H3,(H,24,27)(H,25,26).
What are the key properties of 2-[(3,5-dimethoxyphenyl)methoxy]-N'-hydroxy-N-phenyloctanediamide?
2-[(3,5-dimethoxyphenyl)methoxy]-N'-hydroxy-N-phenyloctanediamide has a molecular weight of 430.50 g/mol, XLogP of 3.68, 13 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethoxyphenyl)methoxy]-N'-hydroxy-N-phenyloctanediamide is sourced from PubChem (CID 24779723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).