6-[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]-N-hydroxyhexanamide

C29H36N2O5 — CID 142622676

IUPAC6-[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]-N-hydroxyhexanamide
SMILESCOc1cc(OCc2cccc(-c3ccccc3)c2C)cc(OC)c1CNCCCCCC(=O)NO
InChIInChI=1S/C29H36N2O5/c1-21-23(13-10-14-25(21)22-11-6-4-7-12-22)20-36-24-17-27(34-2)26(28(18-24)35-3)19-30-16-9-5-8-15-29(32)31-33/h4,6-7,10-14,17-18,30,33H,5,8-9,15-16,19-20H2,1-3H3,(H,31,32)
InChIKeyMSEOSYUQEQHFPO-UHFFFAOYSA-N
MW492.62 g/mol
LogP5.41
Rot. Bonds14

About 6-[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]-N-hydroxyhexanamide

6-[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]-N-hydroxyhexanamide (PubChem CID 142622676) has the molecular formula C29H36N2O5 and a molecular weight of 492.62 g/mol. Its IUPAC name is 6-[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]-N-hydroxyhexanamide.

Molecular Properties

Compound Name6-[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]-N-hydroxyhexanamide
PubChem CID142622676
Molecular FormulaC29H36N2O5
Molecular Weight492.62 g/mol
Exact Mass492.26
IUPAC Name6-[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]-N-hydroxyhexanamide
SMILESCOc1cc(OCc2cccc(-c3ccccc3)c2C)cc(OC)c1CNCCCCCC(=O)NO
InChIInChI=1S/C29H36N2O5/c1-21-23(13-10-14-25(21)22-11-6-4-7-12-22)20-36-24-17-27(34-2)26(28(18-24)35-3)19-30-16-9-5-8-15-29(32)31-33/h4,6-7,10-14,17-18,30,33H,5,8-9,15-16,19-20H2,1-3H3,(H,31,32)
InChIKeyMSEOSYUQEQHFPO-UHFFFAOYSA-N
XLogP5.41
TPSA89.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.62
LogP ≤ 55.41
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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Frequently Asked Questions

What is the IUPAC name of 6-[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]-N-hydroxyhexanamide?
The IUPAC name of 6-[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]-N-hydroxyhexanamide (CID 142622676) is 6-[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]-N-hydroxyhexanamide.
What is the SMILES notation for 6-[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]-N-hydroxyhexanamide?
The canonical SMILES for 6-[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]-N-hydroxyhexanamide is COc1cc(OCc2cccc(-c3ccccc3)c2C)cc(OC)c1CNCCCCCC(=O)NO.
What is the InChIKey of 6-[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]-N-hydroxyhexanamide?
The InChIKey is MSEOSYUQEQHFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N2O5/c1-21-23(13-10-14-25(21)22-11-6-4-7-12-22)20-36-24-17-27(34-2)26(28(18-24)35-3)19-30-16-9-5-8-15-29(32)31-33/h4,6-7,10-14,17-18,30,33H,5,8-9,15-16,19-20H2,1-3H3,(H,31,32).
What are the key properties of 6-[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]-N-hydroxyhexanamide?
6-[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]-N-hydroxyhexanamide has a molecular weight of 492.62 g/mol, XLogP of 5.41, 14 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]-N-hydroxyhexanamide is sourced from PubChem (CID 142622676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).