3,4-diethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide

C21H27NO6 — CID 41261631

IUPAC3,4-diethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
SMILESCCOc1ccc(C(=O)NCc2cc(OC)c(OC)c(OC)c2)cc1OCC
InChIInChI=1S/C21H27NO6/c1-6-27-16-9-8-15(12-17(16)28-7-2)21(23)22-13-14-10-18(24-3)20(26-5)19(11-14)25-4/h8-12H,6-7,13H2,1-5H3,(H,22,23)
InChIKeyPEWQTCVCNXBOLS-UHFFFAOYSA-N
MW389.45 g/mol
LogP3.44
Rot. Bonds10

About 3,4-diethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide

3,4-diethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide (PubChem CID 41261631) has the molecular formula C21H27NO6 and a molecular weight of 389.45 g/mol. Its IUPAC name is 3,4-diethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name3,4-diethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
PubChem CID41261631
Molecular FormulaC21H27NO6
Molecular Weight389.45 g/mol
Exact Mass389.18
IUPAC Name3,4-diethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
SMILESCCOc1ccc(C(=O)NCc2cc(OC)c(OC)c(OC)c2)cc1OCC
InChIInChI=1S/C21H27NO6/c1-6-27-16-9-8-15(12-17(16)28-7-2)21(23)22-13-14-10-18(24-3)20(26-5)19(11-14)25-4/h8-12H,6-7,13H2,1-5H3,(H,22,23)
InChIKeyPEWQTCVCNXBOLS-UHFFFAOYSA-N
XLogP3.44
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 41261598
4-(difluoromethoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-ethoxybenzamide
CID 9261772
N-[(3,4,5-trimethoxyphenyl)methyl]naphthalene-2-carboxamide
CID 41261586
3-ethoxy-4-methoxy-N-[(3-methoxyphenyl)methyl]benzamide
CID 38652199
4-ethoxy-3-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 26698623
3-ethoxy-4-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]benzamide
CID 46479176
N-[(4-cyanophenyl)methyl]-3-ethoxy-4-methoxybenzamide
CID 46587460
N-[(3-chlorophenyl)methyl]-3-ethoxy-4-methoxybenzamide
CID 51158727
N-[[4-(diethylaminomethyl)phenyl]methyl]-4-ethoxy-3-methoxybenzamide
CID 8948247
(3,4,5-trimethoxyphenyl)methyl 3,4-diethoxybenzoate
CID 9095626
2-(2-ethoxy-4-formylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 36545646
4-(ethylsulfanylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 55875017

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide?
The IUPAC name of 3,4-diethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide (CID 41261631) is 3,4-diethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide.
What is the SMILES notation for 3,4-diethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide?
The canonical SMILES for 3,4-diethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide is CCOc1ccc(C(=O)NCc2cc(OC)c(OC)c(OC)c2)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide?
The InChIKey is PEWQTCVCNXBOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO6/c1-6-27-16-9-8-15(12-17(16)28-7-2)21(23)22-13-14-10-18(24-3)20(26-5)19(11-14)25-4/h8-12H,6-7,13H2,1-5H3,(H,22,23).
What are the key properties of 3,4-diethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide?
3,4-diethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide has a molecular weight of 389.45 g/mol, XLogP of 3.44, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide is sourced from PubChem (CID 41261631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).