N'-hydroxy-2-[(4-methoxyphenyl)methoxy]-N-phenylheptanediamide

C21H26N2O5 — CID 25065926

IUPACN'-hydroxy-2-[(4-methoxyphenyl)methoxy]-N-phenylheptanediamide
SMILESCOc1ccc(COC(CCCCC(=O)NO)C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C21H26N2O5/c1-27-18-13-11-16(12-14-18)15-28-19(9-5-6-10-20(24)23-26)21(25)22-17-7-3-2-4-8-17/h2-4,7-8,11-14,19,26H,5-6,9-10,15H2,1H3,(H,22,25)(H,23,24)
InChIKeyOZJXHJVEBWDACK-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.28
Rot. Bonds11

About N'-hydroxy-2-[(4-methoxyphenyl)methoxy]-N-phenylheptanediamide

N'-hydroxy-2-[(4-methoxyphenyl)methoxy]-N-phenylheptanediamide (PubChem CID 25065926) has the molecular formula C21H26N2O5 and a molecular weight of 386.45 g/mol. Its IUPAC name is N'-hydroxy-2-[(4-methoxyphenyl)methoxy]-N-phenylheptanediamide.

Molecular Properties

Compound NameN'-hydroxy-2-[(4-methoxyphenyl)methoxy]-N-phenylheptanediamide
PubChem CID25065926
Molecular FormulaC21H26N2O5
Molecular Weight386.45 g/mol
Exact Mass386.18
IUPAC NameN'-hydroxy-2-[(4-methoxyphenyl)methoxy]-N-phenylheptanediamide
SMILESCOc1ccc(COC(CCCCC(=O)NO)C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C21H26N2O5/c1-27-18-13-11-16(12-14-18)15-28-19(9-5-6-10-20(24)23-26)21(25)22-17-7-3-2-4-8-17/h2-4,7-8,11-14,19,26H,5-6,9-10,15H2,1H3,(H,22,25)(H,23,24)
InChIKeyOZJXHJVEBWDACK-UHFFFAOYSA-N
XLogP3.28
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-2-[(4-methoxyphenyl)methoxy]-N-phenylnonanediamide
CID 25066354
methyl (7S)-8-anilino-7-[(4-methoxyphenyl)methoxy]-8-oxooctanoate
CID 68698621
N'-hydroxy-2-methoxy-N-phenyloctanediamide
CID 25065930
2-[(3,5-dimethoxyphenyl)methoxy]-N'-hydroxy-N-phenyloctanediamide;N'-hydroxy-2-[(3-methoxyphenyl)methoxy]-N-[(4-methoxyphenyl)methyl]-N-phenyloctanediamide;N'-hydroxy-2-[(3-methoxyphenyl)methoxy]-N-phenyloctanediamide;N'-hydroxy-2-[(4-methylphenyl)methoxy]-N-phenyloctanediamide;N'-hydroxy-2-[(3-phenoxyphenyl)methoxy]-N-phenyloctanediamide
CID 158147056
N'-hydroxy-N-phenyl-2-prop-2-enoxyoctanediamide;methyl 8-anilino-8-oxo-7-prop-2-enoxyoctanoate
CID 159093312
N-hydroxy-7-[(4-methoxyphenyl)methoxy]-8-oxooctanamide
CID 145473731
2-amino-N'-hydroxy-N-phenyloctanediamide
CID 89108892
4-(4-methoxyphenyl)-N-phenylbutanamide
CID 48980411
2-[(3-phenoxyphenyl)methoxy]-N-phenyloctanediamide
CID 145473758
N-hydroxy-2-(2-methylprop-2-enoxy)-N'-phenylheptanediamide
CID 174602137
methyl 9-anilino-8-methoxy-9-oxononanoate
CID 59316213
2-butoxy-N-phenyldodecanamide
CID 70626065

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[(4-methoxyphenyl)methoxy]-N-phenylheptanediamide?
The IUPAC name of N'-hydroxy-2-[(4-methoxyphenyl)methoxy]-N-phenylheptanediamide (CID 25065926) is N'-hydroxy-2-[(4-methoxyphenyl)methoxy]-N-phenylheptanediamide.
What is the SMILES notation for N'-hydroxy-2-[(4-methoxyphenyl)methoxy]-N-phenylheptanediamide?
The canonical SMILES for N'-hydroxy-2-[(4-methoxyphenyl)methoxy]-N-phenylheptanediamide is COc1ccc(COC(CCCCC(=O)NO)C(=O)Nc2ccccc2)cc1.
What is the InChIKey of N'-hydroxy-2-[(4-methoxyphenyl)methoxy]-N-phenylheptanediamide?
The InChIKey is OZJXHJVEBWDACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5/c1-27-18-13-11-16(12-14-18)15-28-19(9-5-6-10-20(24)23-26)21(25)22-17-7-3-2-4-8-17/h2-4,7-8,11-14,19,26H,5-6,9-10,15H2,1H3,(H,22,25)(H,23,24).
What are the key properties of N'-hydroxy-2-[(4-methoxyphenyl)methoxy]-N-phenylheptanediamide?
N'-hydroxy-2-[(4-methoxyphenyl)methoxy]-N-phenylheptanediamide has a molecular weight of 386.45 g/mol, XLogP of 3.28, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[(4-methoxyphenyl)methoxy]-N-phenylheptanediamide is sourced from PubChem (CID 25065926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).