6-[5-[hydroxy-bis(4-methoxyphenyl)methyl]-2-methoxyphenyl]-N-nonylhexanamide

C37H51NO5 — CID 25178444

IUPAC6-[5-[hydroxy-bis(4-methoxyphenyl)methyl]-2-methoxyphenyl]-N-nonylhexanamide
SMILESCCCCCCCCCNC(=O)CCCCCc1cc(C(O)(c2ccc(OC)cc2)c2ccc(OC)cc2)ccc1OC
InChIInChI=1S/C37H51NO5/c1-5-6-7-8-9-10-14-27-38-36(39)16-13-11-12-15-29-28-32(21-26-35(29)43-4)37(40,30-17-22-33(41-2)23-18-30)31-19-24-34(42-3)25-20-31/h17-26,28,40H,5-16,27H2,1-4H3,(H,38,39)
InChIKeyZRBRUPUHMMAEQW-UHFFFAOYSA-N
MW589.82 g/mol
LogP7.97
Rot. Bonds20

About 6-[5-[hydroxy-bis(4-methoxyphenyl)methyl]-2-methoxyphenyl]-N-nonylhexanamide

6-[5-[hydroxy-bis(4-methoxyphenyl)methyl]-2-methoxyphenyl]-N-nonylhexanamide (PubChem CID 25178444) has the molecular formula C37H51NO5 and a molecular weight of 589.82 g/mol. Its IUPAC name is 6-[5-[hydroxy-bis(4-methoxyphenyl)methyl]-2-methoxyphenyl]-N-nonylhexanamide.

Molecular Properties

Compound Name6-[5-[hydroxy-bis(4-methoxyphenyl)methyl]-2-methoxyphenyl]-N-nonylhexanamide
PubChem CID25178444
Molecular FormulaC37H51NO5
Molecular Weight589.82 g/mol
Exact Mass589.38
IUPAC Name6-[5-[hydroxy-bis(4-methoxyphenyl)methyl]-2-methoxyphenyl]-N-nonylhexanamide
SMILESCCCCCCCCCNC(=O)CCCCCc1cc(C(O)(c2ccc(OC)cc2)c2ccc(OC)cc2)ccc1OC
InChIInChI=1S/C37H51NO5/c1-5-6-7-8-9-10-14-27-38-36(39)16-13-11-12-15-29-28-32(21-26-35(29)43-4)37(40,30-17-22-33(41-2)23-18-30)31-19-24-34(42-3)25-20-31/h17-26,28,40H,5-16,27H2,1-4H3,(H,38,39)
InChIKeyZRBRUPUHMMAEQW-UHFFFAOYSA-N
XLogP7.97
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.82
LogP ≤ 57.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

N-hexyl-6-[5-[hydroxy-bis(4-methoxyphenyl)methyl]-2-methoxyphenyl]hexanamide
CID 25178239
N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]pentanamide
CID 110601119
N-hexyl-2-(4-methoxyphenyl)acetamide
CID 3649296
3-(3,4-dimethoxyphenyl)-N-hexylpropanamide
CID 19220639
N-heptyl-2-(2-methoxyphenyl)acetamide
CID 3375995
N-[2-(5-chloro-2-methoxyphenyl)ethyl]pentanamide
CID 110787710
(2,5-dioxopyrrolidin-1-yl) 6-[5-[[4-(dimethylamino)phenyl]-hydroxy-(4-methoxyphenyl)methyl]-2-methoxyphenyl]hexanoate
CID 25178846
N-[2-(3,4-dimethoxyphenyl)ethyl]hexanamide
CID 5073739
6-[5-[hydroxy-(4-methoxyphenyl)-pyren-1-ylmethyl]-2-methoxyphenyl]hexanoic acid
CID 87992844
3-[(4-methoxyphenyl)sulfonylamino]-N-nonylpropanamide
CID 43052252
2-(2,5-dimethoxyanilino)-N-hexadecylacetamide
CID 54814998
2-(3,4-dimethoxyphenyl)-N-[4-(4-methoxyphenyl)butyl]acetamide
CID 110288813

Frequently Asked Questions

What is the IUPAC name of 6-[5-[hydroxy-bis(4-methoxyphenyl)methyl]-2-methoxyphenyl]-N-nonylhexanamide?
The IUPAC name of 6-[5-[hydroxy-bis(4-methoxyphenyl)methyl]-2-methoxyphenyl]-N-nonylhexanamide (CID 25178444) is 6-[5-[hydroxy-bis(4-methoxyphenyl)methyl]-2-methoxyphenyl]-N-nonylhexanamide.
What is the SMILES notation for 6-[5-[hydroxy-bis(4-methoxyphenyl)methyl]-2-methoxyphenyl]-N-nonylhexanamide?
The canonical SMILES for 6-[5-[hydroxy-bis(4-methoxyphenyl)methyl]-2-methoxyphenyl]-N-nonylhexanamide is CCCCCCCCCNC(=O)CCCCCc1cc(C(O)(c2ccc(OC)cc2)c2ccc(OC)cc2)ccc1OC.
What is the InChIKey of 6-[5-[hydroxy-bis(4-methoxyphenyl)methyl]-2-methoxyphenyl]-N-nonylhexanamide?
The InChIKey is ZRBRUPUHMMAEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H51NO5/c1-5-6-7-8-9-10-14-27-38-36(39)16-13-11-12-15-29-28-32(21-26-35(29)43-4)37(40,30-17-22-33(41-2)23-18-30)31-19-24-34(42-3)25-20-31/h17-26,28,40H,5-16,27H2,1-4H3,(H,38,39).
What are the key properties of 6-[5-[hydroxy-bis(4-methoxyphenyl)methyl]-2-methoxyphenyl]-N-nonylhexanamide?
6-[5-[hydroxy-bis(4-methoxyphenyl)methyl]-2-methoxyphenyl]-N-nonylhexanamide has a molecular weight of 589.82 g/mol, XLogP of 7.97, 20 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[hydroxy-bis(4-methoxyphenyl)methyl]-2-methoxyphenyl]-N-nonylhexanamide is sourced from PubChem (CID 25178444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).