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

C34H45NO5 — CID 25178239

IUPACN-hexyl-6-[5-[hydroxy-bis(4-methoxyphenyl)methyl]-2-methoxyphenyl]hexanamide
SMILESCCCCCCNC(=O)CCCCCc1cc(C(O)(c2ccc(OC)cc2)c2ccc(OC)cc2)ccc1OC
InChIInChI=1S/C34H45NO5/c1-5-6-7-11-24-35-33(36)13-10-8-9-12-26-25-29(18-23-32(26)40-4)34(37,27-14-19-30(38-2)20-15-27)28-16-21-31(39-3)22-17-28/h14-23,25,37H,5-13,24H2,1-4H3,(H,35,36)
InChIKeyKSVMVIWGDMJIEO-UHFFFAOYSA-N
MW547.74 g/mol
LogP6.80
Rot. Bonds17

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

N-hexyl-6-[5-[hydroxy-bis(4-methoxyphenyl)methyl]-2-methoxyphenyl]hexanamide (PubChem CID 25178239) has the molecular formula C34H45NO5 and a molecular weight of 547.74 g/mol. Its IUPAC name is N-hexyl-6-[5-[hydroxy-bis(4-methoxyphenyl)methyl]-2-methoxyphenyl]hexanamide.

Molecular Properties

Compound NameN-hexyl-6-[5-[hydroxy-bis(4-methoxyphenyl)methyl]-2-methoxyphenyl]hexanamide
PubChem CID25178239
Molecular FormulaC34H45NO5
Molecular Weight547.74 g/mol
Exact Mass547.33
IUPAC NameN-hexyl-6-[5-[hydroxy-bis(4-methoxyphenyl)methyl]-2-methoxyphenyl]hexanamide
SMILESCCCCCCNC(=O)CCCCCc1cc(C(O)(c2ccc(OC)cc2)c2ccc(OC)cc2)ccc1OC
InChIInChI=1S/C34H45NO5/c1-5-6-7-11-24-35-33(36)13-10-8-9-12-26-25-29(18-23-32(26)40-4)34(37,27-14-19-30(38-2)20-15-27)28-16-21-31(39-3)22-17-28/h14-23,25,37H,5-13,24H2,1-4H3,(H,35,36)
InChIKeyKSVMVIWGDMJIEO-UHFFFAOYSA-N
XLogP6.80
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.74
LogP ≤ 56.80
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

6-[5-[hydroxy-bis(4-methoxyphenyl)methyl]-2-methoxyphenyl]-N-nonylhexanamide
CID 25178444
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 N-hexyl-6-[5-[hydroxy-bis(4-methoxyphenyl)methyl]-2-methoxyphenyl]hexanamide?
The IUPAC name of N-hexyl-6-[5-[hydroxy-bis(4-methoxyphenyl)methyl]-2-methoxyphenyl]hexanamide (CID 25178239) is N-hexyl-6-[5-[hydroxy-bis(4-methoxyphenyl)methyl]-2-methoxyphenyl]hexanamide.
What is the SMILES notation for N-hexyl-6-[5-[hydroxy-bis(4-methoxyphenyl)methyl]-2-methoxyphenyl]hexanamide?
The canonical SMILES for N-hexyl-6-[5-[hydroxy-bis(4-methoxyphenyl)methyl]-2-methoxyphenyl]hexanamide is CCCCCCNC(=O)CCCCCc1cc(C(O)(c2ccc(OC)cc2)c2ccc(OC)cc2)ccc1OC.
What is the InChIKey of N-hexyl-6-[5-[hydroxy-bis(4-methoxyphenyl)methyl]-2-methoxyphenyl]hexanamide?
The InChIKey is KSVMVIWGDMJIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H45NO5/c1-5-6-7-11-24-35-33(36)13-10-8-9-12-26-25-29(18-23-32(26)40-4)34(37,27-14-19-30(38-2)20-15-27)28-16-21-31(39-3)22-17-28/h14-23,25,37H,5-13,24H2,1-4H3,(H,35,36).
What are the key properties of N-hexyl-6-[5-[hydroxy-bis(4-methoxyphenyl)methyl]-2-methoxyphenyl]hexanamide?
N-hexyl-6-[5-[hydroxy-bis(4-methoxyphenyl)methyl]-2-methoxyphenyl]hexanamide has a molecular weight of 547.74 g/mol, XLogP of 6.80, 17 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-6-[5-[hydroxy-bis(4-methoxyphenyl)methyl]-2-methoxyphenyl]hexanamide is sourced from PubChem (CID 25178239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).