8-hydroxy-8-(4-methoxyphenoxy)-N-(4-methoxyphenyl)octanamide

C22H29NO5 — CID 163487525

IUPAC8-hydroxy-8-(4-methoxyphenoxy)-N-(4-methoxyphenyl)octanamide
SMILESCOc1ccc(NC(=O)CCCCCCC(O)Oc2ccc(OC)cc2)cc1
InChIInChI=1S/C22H29NO5/c1-26-18-11-9-17(10-12-18)23-21(24)7-5-3-4-6-8-22(25)28-20-15-13-19(27-2)14-16-20/h9-16,22,25H,3-8H2,1-2H3,(H,23,24)
InChIKeyCJUXKDGSICXWAC-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.38
Rot. Bonds12

About 8-hydroxy-8-(4-methoxyphenoxy)-N-(4-methoxyphenyl)octanamide

8-hydroxy-8-(4-methoxyphenoxy)-N-(4-methoxyphenyl)octanamide (PubChem CID 163487525) has the molecular formula C22H29NO5 and a molecular weight of 387.48 g/mol. Its IUPAC name is 8-hydroxy-8-(4-methoxyphenoxy)-N-(4-methoxyphenyl)octanamide.

Molecular Properties

Compound Name8-hydroxy-8-(4-methoxyphenoxy)-N-(4-methoxyphenyl)octanamide
PubChem CID163487525
Molecular FormulaC22H29NO5
Molecular Weight387.48 g/mol
Exact Mass387.20
IUPAC Name8-hydroxy-8-(4-methoxyphenoxy)-N-(4-methoxyphenyl)octanamide
SMILESCOc1ccc(NC(=O)CCCCCCC(O)Oc2ccc(OC)cc2)cc1
InChIInChI=1S/C22H29NO5/c1-26-18-11-9-17(10-12-18)23-21(24)7-5-3-4-6-8-22(25)28-20-15-13-19(27-2)14-16-20/h9-16,22,25H,3-8H2,1-2H3,(H,23,24)
InChIKeyCJUXKDGSICXWAC-UHFFFAOYSA-N
XLogP4.38
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis(4-methoxyphenyl)dodecanediamide
CID 5187461
11-bromo-N-(4-methoxyphenyl)undecanamide
CID 51058288
6-(4-methoxyanilino)-6-oxohexanoic acid
CID 19422065
N-(4-methoxyphenyl)-6-oxooctanamide
CID 15388979
N-(4-methoxyphenyl)-6-propan-2-ylsulfonylhexanamide
CID 58145182
5-amino-N-(4-methoxyphenyl)-4-methylpentanamide
CID 82017203
N-[2-(4-methoxyanilino)-2-oxoethyl]nonanamide
CID 5172800
3-(4-methoxyphenyl)-N-(4-propan-2-yloxyphenyl)propanamide
CID 19221042
methyl 10-[4-[(10-methoxy-10-oxodecanoyl)amino]anilino]-10-oxodecanoate
CID 3310554
5-[4-(4-methoxyphenoxy)anilino]-5-oxopentanoate
CID 6953047
N,N'-bis(4-ethoxyphenyl)nonanediamide
CID 4507995
4-(4-methoxyanilino)-4-oxobutanoyl chloride
CID 82041607

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-8-(4-methoxyphenoxy)-N-(4-methoxyphenyl)octanamide?
The IUPAC name of 8-hydroxy-8-(4-methoxyphenoxy)-N-(4-methoxyphenyl)octanamide (CID 163487525) is 8-hydroxy-8-(4-methoxyphenoxy)-N-(4-methoxyphenyl)octanamide.
What is the SMILES notation for 8-hydroxy-8-(4-methoxyphenoxy)-N-(4-methoxyphenyl)octanamide?
The canonical SMILES for 8-hydroxy-8-(4-methoxyphenoxy)-N-(4-methoxyphenyl)octanamide is COc1ccc(NC(=O)CCCCCCC(O)Oc2ccc(OC)cc2)cc1.
What is the InChIKey of 8-hydroxy-8-(4-methoxyphenoxy)-N-(4-methoxyphenyl)octanamide?
The InChIKey is CJUXKDGSICXWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO5/c1-26-18-11-9-17(10-12-18)23-21(24)7-5-3-4-6-8-22(25)28-20-15-13-19(27-2)14-16-20/h9-16,22,25H,3-8H2,1-2H3,(H,23,24).
What are the key properties of 8-hydroxy-8-(4-methoxyphenoxy)-N-(4-methoxyphenyl)octanamide?
8-hydroxy-8-(4-methoxyphenoxy)-N-(4-methoxyphenyl)octanamide has a molecular weight of 387.48 g/mol, XLogP of 4.38, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-8-(4-methoxyphenoxy)-N-(4-methoxyphenyl)octanamide is sourced from PubChem (CID 163487525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).