12-[bis(4-methoxyphenyl)-phenylmethoxy]dodecanamide

C33H43NO4 — CID 141366713

IUPAC12-[bis(4-methoxyphenyl)-phenylmethoxy]dodecanamide
SMILESCOc1ccc(C(OCCCCCCCCCCCC(N)=O)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C33H43NO4/c1-36-30-22-18-28(19-23-30)33(27-15-11-10-12-16-27,29-20-24-31(37-2)25-21-29)38-26-14-9-7-5-3-4-6-8-13-17-32(34)35/h10-12,15-16,18-25H,3-9,13-14,17,26H2,1-2H3,(H2,34,35)
InChIKeyAMOOIRBQWWFWTQ-UHFFFAOYSA-N
MW517.71 g/mol
LogP7.40
Rot. Bonds18

About 12-[bis(4-methoxyphenyl)-phenylmethoxy]dodecanamide

12-[bis(4-methoxyphenyl)-phenylmethoxy]dodecanamide (PubChem CID 141366713) has the molecular formula C33H43NO4 and a molecular weight of 517.71 g/mol. Its IUPAC name is 12-[bis(4-methoxyphenyl)-phenylmethoxy]dodecanamide.

Molecular Properties

Compound Name12-[bis(4-methoxyphenyl)-phenylmethoxy]dodecanamide
PubChem CID141366713
Molecular FormulaC33H43NO4
Molecular Weight517.71 g/mol
Exact Mass517.32
IUPAC Name12-[bis(4-methoxyphenyl)-phenylmethoxy]dodecanamide
SMILESCOc1ccc(C(OCCCCCCCCCCCC(N)=O)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C33H43NO4/c1-36-30-22-18-28(19-23-30)33(27-15-11-10-12-16-27,29-20-24-31(37-2)25-21-29)38-26-14-9-7-5-3-4-6-8-13-17-32(34)35/h10-12,15-16,18-25H,3-9,13-14,17,26H2,1-2H3,(H2,34,35)
InChIKeyAMOOIRBQWWFWTQ-UHFFFAOYSA-N
XLogP7.40
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.71
LogP ≤ 57.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

1-[dodecoxy-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene
CID 101094688
methyl 5-trityloxypentanoate
CID 171841896
6-[4-[(4-methoxyphenyl)-diphenylmethoxy]but-2-enoxy]hexanoic acid
CID 54451752
N-[4-[bis(4-methoxyphenyl)-phenylmethoxy]butyl]-9-hydroxy-4-oxononanamide
CID 158860179
4-methoxy-2-[4-[(4-methoxyphenyl)-diphenylmethoxy]butyl]dodecanamide
CID 131736534
1-methoxy-4-(10-trityloxydecoxymethyl)benzene
CID 11284058
4-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-ol
CID 22022612
(2S)-4-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-ol
CID 58798149
4-[2-[2-[2-[2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-oxobutanoic acid
CID 18974823
2-[4-[bis(4-methoxyphenyl)-phenylmethoxy]butyl]isoindole-1,3-dione;ethane
CID 144822259
3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropanamide
CID 91429970
5-(5-trityloxypentoxy)pentanoic acid
CID 122573368

Frequently Asked Questions

What is the IUPAC name of 12-[bis(4-methoxyphenyl)-phenylmethoxy]dodecanamide?
The IUPAC name of 12-[bis(4-methoxyphenyl)-phenylmethoxy]dodecanamide (CID 141366713) is 12-[bis(4-methoxyphenyl)-phenylmethoxy]dodecanamide.
What is the SMILES notation for 12-[bis(4-methoxyphenyl)-phenylmethoxy]dodecanamide?
The canonical SMILES for 12-[bis(4-methoxyphenyl)-phenylmethoxy]dodecanamide is COc1ccc(C(OCCCCCCCCCCCC(N)=O)(c2ccccc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of 12-[bis(4-methoxyphenyl)-phenylmethoxy]dodecanamide?
The InChIKey is AMOOIRBQWWFWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H43NO4/c1-36-30-22-18-28(19-23-30)33(27-15-11-10-12-16-27,29-20-24-31(37-2)25-21-29)38-26-14-9-7-5-3-4-6-8-13-17-32(34)35/h10-12,15-16,18-25H,3-9,13-14,17,26H2,1-2H3,(H2,34,35).
What are the key properties of 12-[bis(4-methoxyphenyl)-phenylmethoxy]dodecanamide?
12-[bis(4-methoxyphenyl)-phenylmethoxy]dodecanamide has a molecular weight of 517.71 g/mol, XLogP of 7.40, 18 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[bis(4-methoxyphenyl)-phenylmethoxy]dodecanamide is sourced from PubChem (CID 141366713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).