4-methoxy-2-[4-[(4-methoxyphenyl)-diphenylmethoxy]butyl]dodecanamide

C37H51NO4 — CID 131736534

IUPAC4-methoxy-2-[4-[(4-methoxyphenyl)-diphenylmethoxy]butyl]dodecanamide
SMILESCCCCCCCCC(CC(CCCCOC(c1ccccc1)(c1ccccc1)c1ccc(OC)cc1)C(N)=O)OC
InChIInChI=1S/C37H51NO4/c1-4-5-6-7-8-15-23-35(41-3)29-30(36(38)39)18-16-17-28-42-37(31-19-11-9-12-20-31,32-21-13-10-14-22-32)33-24-26-34(40-2)27-25-33/h9-14,19-22,24-27,30,35H,4-8,15-18,23,28-29H2,1-3H3,(H2,38,39)
InChIKeyIPCSUQJDLJAKKJ-UHFFFAOYSA-N
MW573.82 g/mol
LogP8.43
Rot. Bonds21

About 4-methoxy-2-[4-[(4-methoxyphenyl)-diphenylmethoxy]butyl]dodecanamide

4-methoxy-2-[4-[(4-methoxyphenyl)-diphenylmethoxy]butyl]dodecanamide (PubChem CID 131736534) has the molecular formula C37H51NO4 and a molecular weight of 573.82 g/mol. Its IUPAC name is 4-methoxy-2-[4-[(4-methoxyphenyl)-diphenylmethoxy]butyl]dodecanamide.

Molecular Properties

Compound Name4-methoxy-2-[4-[(4-methoxyphenyl)-diphenylmethoxy]butyl]dodecanamide
PubChem CID131736534
Molecular FormulaC37H51NO4
Molecular Weight573.82 g/mol
Exact Mass573.38
IUPAC Name4-methoxy-2-[4-[(4-methoxyphenyl)-diphenylmethoxy]butyl]dodecanamide
SMILESCCCCCCCCC(CC(CCCCOC(c1ccccc1)(c1ccccc1)c1ccc(OC)cc1)C(N)=O)OC
InChIInChI=1S/C37H51NO4/c1-4-5-6-7-8-15-23-35(41-3)29-30(36(38)39)18-16-17-28-42-37(31-19-11-9-12-20-31,32-21-13-10-14-22-32)33-24-26-34(40-2)27-25-33/h9-14,19-22,24-27,30,35H,4-8,15-18,23,28-29H2,1-3H3,(H2,38,39)
InChIKeyIPCSUQJDLJAKKJ-UHFFFAOYSA-N
XLogP8.43
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.82
LogP ≤ 58.43
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

2-aminoacetic acid;4-methoxy-2-[(4-methoxyphenyl)-diphenylmethoxy]dodecanamide
CID 131736538
1-[dodecoxy-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene
CID 101094688
12-[bis(4-methoxyphenyl)-phenylmethoxy]dodecanamide
CID 141366713
1-[bis(4-methoxyphenyl)-phenylmethoxy]nonan-3-ol
CID 143649283
[1-[bis(4-methoxyphenyl)-phenylmethoxy]-7-hydroxyundecan-6-yl] acetate
CID 162096764
[2-methoxy-3-[(4-methoxyphenyl)-diphenylmethoxy]propyl] N-octadecylcarbamate
CID 19780189
(E)-1-[bis(4-methoxyphenyl)-phenylmethoxy]icos-11-en-3-ol
CID 68745223
S-[(2S)-1-[(4-methoxyphenyl)-diphenylmethoxy]-3-octoxypropan-2-yl] octanethioate
CID 135587657
S-[(2S)-1-hexoxy-3-[(4-methoxyphenyl)-diphenylmethoxy]propan-2-yl] 4-methylpentanethioate
CID 135574414
(2R)-1-hexadecoxy-3-[(4-methoxyphenyl)-diphenylmethoxy]propan-2-ol
CID 14260773
[(2S)-3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropyl] octadecanoate
CID 11115011
3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropanamide
CID 91429970

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[4-[(4-methoxyphenyl)-diphenylmethoxy]butyl]dodecanamide?
The IUPAC name of 4-methoxy-2-[4-[(4-methoxyphenyl)-diphenylmethoxy]butyl]dodecanamide (CID 131736534) is 4-methoxy-2-[4-[(4-methoxyphenyl)-diphenylmethoxy]butyl]dodecanamide.
What is the SMILES notation for 4-methoxy-2-[4-[(4-methoxyphenyl)-diphenylmethoxy]butyl]dodecanamide?
The canonical SMILES for 4-methoxy-2-[4-[(4-methoxyphenyl)-diphenylmethoxy]butyl]dodecanamide is CCCCCCCCC(CC(CCCCOC(c1ccccc1)(c1ccccc1)c1ccc(OC)cc1)C(N)=O)OC.
What is the InChIKey of 4-methoxy-2-[4-[(4-methoxyphenyl)-diphenylmethoxy]butyl]dodecanamide?
The InChIKey is IPCSUQJDLJAKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H51NO4/c1-4-5-6-7-8-15-23-35(41-3)29-30(36(38)39)18-16-17-28-42-37(31-19-11-9-12-20-31,32-21-13-10-14-22-32)33-24-26-34(40-2)27-25-33/h9-14,19-22,24-27,30,35H,4-8,15-18,23,28-29H2,1-3H3,(H2,38,39).
What are the key properties of 4-methoxy-2-[4-[(4-methoxyphenyl)-diphenylmethoxy]butyl]dodecanamide?
4-methoxy-2-[4-[(4-methoxyphenyl)-diphenylmethoxy]butyl]dodecanamide has a molecular weight of 573.82 g/mol, XLogP of 8.43, 21 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[4-[(4-methoxyphenyl)-diphenylmethoxy]butyl]dodecanamide is sourced from PubChem (CID 131736534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).