N-[4-[bis(4-methoxyphenyl)-phenylmethoxy]butyl]-9-hydroxy-4-oxononanamide

C34H43NO6 — CID 158860179

IUPACN-[4-[bis(4-methoxyphenyl)-phenylmethoxy]butyl]-9-hydroxy-4-oxononanamide
SMILESCOc1ccc(C(OCCCCNC(=O)CCC(=O)CCCCCO)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C34H43NO6/c1-39-31-19-14-28(15-20-31)34(27-11-5-3-6-12-27,29-16-21-32(40-2)22-17-29)41-26-10-8-24-35-33(38)23-18-30(37)13-7-4-9-25-36/h3,5-6,11-12,14-17,19-22,36H,4,7-10,13,18,23-26H2,1-2H3,(H,35,38)
InChIKeyUHQDEOUWXHAWEM-UHFFFAOYSA-N
MW561.72 g/mol
LogP5.81
Rot. Bonds19

About N-[4-[bis(4-methoxyphenyl)-phenylmethoxy]butyl]-9-hydroxy-4-oxononanamide

N-[4-[bis(4-methoxyphenyl)-phenylmethoxy]butyl]-9-hydroxy-4-oxononanamide (PubChem CID 158860179) has the molecular formula C34H43NO6 and a molecular weight of 561.72 g/mol. Its IUPAC name is N-[4-[bis(4-methoxyphenyl)-phenylmethoxy]butyl]-9-hydroxy-4-oxononanamide.

Molecular Properties

Compound NameN-[4-[bis(4-methoxyphenyl)-phenylmethoxy]butyl]-9-hydroxy-4-oxononanamide
PubChem CID158860179
Molecular FormulaC34H43NO6
Molecular Weight561.72 g/mol
Exact Mass561.31
IUPAC NameN-[4-[bis(4-methoxyphenyl)-phenylmethoxy]butyl]-9-hydroxy-4-oxononanamide
SMILESCOc1ccc(C(OCCCCNC(=O)CCC(=O)CCCCCO)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C34H43NO6/c1-39-31-19-14-28(15-20-31)34(27-11-5-3-6-12-27,29-16-21-32(40-2)22-17-29)41-26-10-8-24-35-33(38)23-18-30(37)13-7-4-9-25-36/h3,5-6,11-12,14-17,19-22,36H,4,7-10,13,18,23-26H2,1-2H3,(H,35,38)
InChIKeyUHQDEOUWXHAWEM-UHFFFAOYSA-N
XLogP5.81
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.72
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

12-[bis(4-methoxyphenyl)-phenylmethoxy]dodecanamide
CID 141366713
1-[dodecoxy-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene
CID 101094688
methyl 5-trityloxypentanoate
CID 171841896
[4-amino-2-[6-[bis(4-methoxyphenyl)-phenylmethoxy]hexylcarbamoyl]phenyl]methyl acetate
CID 24872675
N-[5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6-hydroxyhexyl]-3-(3-methyldiazirin-3-yl)propanamide
CID 172990068
4-[3-[2-[2-[3-[[(4-methoxyphenyl)-diphenylmethyl]amino]propoxy]ethoxy]ethoxy]propylamino]-4-oxobutanoic acid
CID 15218076
2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethanol
CID 57357526
[4-[[1-[[1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-hydroxypropan-2-yl]amino]-1-oxo-6-[4-(trimethylazaniumyl)butanoylamino]hexan-2-yl]amino]-4-oxobutyl]-trimethylazanium
CID 177234383
6-[4-[(4-methoxyphenyl)-diphenylmethoxy]but-2-enoxy]hexanoic acid
CID 54451752
6-[[bis(4-methoxyphenyl)-phenylmethyl]amino]oxyhexan-1-ol
CID 101065100
pentyl 2-[4-[bis(4-methoxyphenyl)-phenylmethoxy]butylcarbamoyl]pyrrolidine-1-carboxylate
CID 90223936
methyl (2R)-3-sulfanyl-2-(5-trityloxypentanoylamino)propanoate
CID 140966966

Frequently Asked Questions

What is the IUPAC name of N-[4-[bis(4-methoxyphenyl)-phenylmethoxy]butyl]-9-hydroxy-4-oxononanamide?
The IUPAC name of N-[4-[bis(4-methoxyphenyl)-phenylmethoxy]butyl]-9-hydroxy-4-oxononanamide (CID 158860179) is N-[4-[bis(4-methoxyphenyl)-phenylmethoxy]butyl]-9-hydroxy-4-oxononanamide.
What is the SMILES notation for N-[4-[bis(4-methoxyphenyl)-phenylmethoxy]butyl]-9-hydroxy-4-oxononanamide?
The canonical SMILES for N-[4-[bis(4-methoxyphenyl)-phenylmethoxy]butyl]-9-hydroxy-4-oxononanamide is COc1ccc(C(OCCCCNC(=O)CCC(=O)CCCCCO)(c2ccccc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[4-[bis(4-methoxyphenyl)-phenylmethoxy]butyl]-9-hydroxy-4-oxononanamide?
The InChIKey is UHQDEOUWXHAWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H43NO6/c1-39-31-19-14-28(15-20-31)34(27-11-5-3-6-12-27,29-16-21-32(40-2)22-17-29)41-26-10-8-24-35-33(38)23-18-30(37)13-7-4-9-25-36/h3,5-6,11-12,14-17,19-22,36H,4,7-10,13,18,23-26H2,1-2H3,(H,35,38).
What are the key properties of N-[4-[bis(4-methoxyphenyl)-phenylmethoxy]butyl]-9-hydroxy-4-oxononanamide?
N-[4-[bis(4-methoxyphenyl)-phenylmethoxy]butyl]-9-hydroxy-4-oxononanamide has a molecular weight of 561.72 g/mol, XLogP of 5.81, 19 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[bis(4-methoxyphenyl)-phenylmethoxy]butyl]-9-hydroxy-4-oxononanamide is sourced from PubChem (CID 158860179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).