N-[4-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]ethoxy]phenyl]dibenzo-p-dioxin-1-carboxamide

C32H32N2O6 — CID 10098799

IUPACN-[4-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]ethoxy]phenyl]dibenzo-p-dioxin-1-carboxamide
SMILESCOc1ccc(CCN(C)CCOc2ccc(NC(=O)c3cccc4c3Oc3ccccc3O4)cc2)cc1OC
InChIInChI=1S/C32H32N2O6/c1-34(18-17-22-11-16-26(36-2)30(21-22)37-3)19-20-38-24-14-12-23(13-15-24)33-32(35)25-7-6-10-29-31(25)40-28-9-5-4-8-27(28)39-29/h4-16,21H,17-20H2,1-3H3,(H,33,35)
InChIKeyMDEQINWCRXTCBU-UHFFFAOYSA-N
MW540.62 g/mol
LogP6.41
Rot. Bonds11

About N-[4-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]ethoxy]phenyl]dibenzo-p-dioxin-1-carboxamide

N-[4-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]ethoxy]phenyl]dibenzo-p-dioxin-1-carboxamide (PubChem CID 10098799) has the molecular formula C32H32N2O6 and a molecular weight of 540.62 g/mol. Its IUPAC name is N-[4-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]ethoxy]phenyl]dibenzo-p-dioxin-1-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]ethoxy]phenyl]dibenzo-p-dioxin-1-carboxamide
PubChem CID10098799
Molecular FormulaC32H32N2O6
Molecular Weight540.62 g/mol
Exact Mass540.23
IUPAC NameN-[4-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]ethoxy]phenyl]dibenzo-p-dioxin-1-carboxamide
SMILESCOc1ccc(CCN(C)CCOc2ccc(NC(=O)c3cccc4c3Oc3ccccc3O4)cc2)cc1OC
InChIInChI=1S/C32H32N2O6/c1-34(18-17-22-11-16-26(36-2)30(21-22)37-3)19-20-38-24-14-12-23(13-15-24)33-32(35)25-7-6-10-29-31(25)40-28-9-5-4-8-27(28)39-29/h4-16,21H,17-20H2,1-3H3,(H,33,35)
InChIKeyMDEQINWCRXTCBU-UHFFFAOYSA-N
XLogP6.41
TPSA78.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.62
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]ethoxy]phenyl]-9-oxothioxanthene-4-carboxamide
CID 10008159
N-[4-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]ethoxy]phenyl]-9,10-dioxo-4a,9a-dihydroanthracene-1-carboxamide
CID 15186678
N-(2-acetylphenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]acetamide
CID 8586985
2-(3,4-dimethoxyphenyl)-N-methyl-N-[2-(4-nitrophenoxy)ethyl]ethanamine
CID 18789949
N-[2-(3-bromophenoxy)ethyl]-2-(3,4-dimethoxyphenyl)-N-methylethanamine
CID 55356635
N-[4-[3-[(3,4-dimethoxyphenyl)methyl-methylamino]propoxy]phenyl]-5-fluoro-9-oxo-10H-acridine-4-carboxamide
CID 44523246
2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 8584003
N-[4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethyl]phenyl]-5-methoxy-9-oxo-10H-acridine-4-carboxamide
CID 10392830
2-methoxy-N-[4-(3-phenylpropoxy)phenyl]benzamide
CID 17130159
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 4830299
N-[4-[2-(3,4-dimethoxy-N-methylanilino)ethoxy]phenyl]-9-oxothioxanthene-4-carboxamide
CID 56977715
N-(4-butoxyphenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 19220649

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]ethoxy]phenyl]dibenzo-p-dioxin-1-carboxamide?
The IUPAC name of N-[4-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]ethoxy]phenyl]dibenzo-p-dioxin-1-carboxamide (CID 10098799) is N-[4-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]ethoxy]phenyl]dibenzo-p-dioxin-1-carboxamide.
What is the SMILES notation for N-[4-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]ethoxy]phenyl]dibenzo-p-dioxin-1-carboxamide?
The canonical SMILES for N-[4-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]ethoxy]phenyl]dibenzo-p-dioxin-1-carboxamide is COc1ccc(CCN(C)CCOc2ccc(NC(=O)c3cccc4c3Oc3ccccc3O4)cc2)cc1OC.
What is the InChIKey of N-[4-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]ethoxy]phenyl]dibenzo-p-dioxin-1-carboxamide?
The InChIKey is MDEQINWCRXTCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N2O6/c1-34(18-17-22-11-16-26(36-2)30(21-22)37-3)19-20-38-24-14-12-23(13-15-24)33-32(35)25-7-6-10-29-31(25)40-28-9-5-4-8-27(28)39-29/h4-16,21H,17-20H2,1-3H3,(H,33,35).
What are the key properties of N-[4-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]ethoxy]phenyl]dibenzo-p-dioxin-1-carboxamide?
N-[4-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]ethoxy]phenyl]dibenzo-p-dioxin-1-carboxamide has a molecular weight of 540.62 g/mol, XLogP of 6.41, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]ethoxy]phenyl]dibenzo-p-dioxin-1-carboxamide is sourced from PubChem (CID 10098799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).