N-[2-(3,4-diethoxyphenyl)ethyl]-2,4-dimethoxybenzamide

C21H27NO5 — CID 9474056

IUPACN-[2-(3,4-diethoxyphenyl)ethyl]-2,4-dimethoxybenzamide
SMILESCCOc1ccc(CCNC(=O)c2ccc(OC)cc2OC)cc1OCC
InChIInChI=1S/C21H27NO5/c1-5-26-18-10-7-15(13-20(18)27-6-2)11-12-22-21(23)17-9-8-16(24-3)14-19(17)25-4/h7-10,13-14H,5-6,11-12H2,1-4H3,(H,22,23)
InChIKeyMWIIQSOSXODQQU-UHFFFAOYSA-N
MW373.45 g/mol
LogP3.47
Rot. Bonds10

About N-[2-(3,4-diethoxyphenyl)ethyl]-2,4-dimethoxybenzamide

N-[2-(3,4-diethoxyphenyl)ethyl]-2,4-dimethoxybenzamide (PubChem CID 9474056) has the molecular formula C21H27NO5 and a molecular weight of 373.45 g/mol. Its IUPAC name is N-[2-(3,4-diethoxyphenyl)ethyl]-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(3,4-diethoxyphenyl)ethyl]-2,4-dimethoxybenzamide
PubChem CID9474056
Molecular FormulaC21H27NO5
Molecular Weight373.45 g/mol
Exact Mass373.19
IUPAC NameN-[2-(3,4-diethoxyphenyl)ethyl]-2,4-dimethoxybenzamide
SMILESCCOc1ccc(CCNC(=O)c2ccc(OC)cc2OC)cc1OCC
InChIInChI=1S/C21H27NO5/c1-5-26-18-10-7-15(13-20(18)27-6-2)11-12-22-21(23)17-9-8-16(24-3)14-19(17)25-4/h7-10,13-14H,5-6,11-12H2,1-4H3,(H,22,23)
InChIKeyMWIIQSOSXODQQU-UHFFFAOYSA-N
XLogP3.47
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[(2,4-dimethoxybenzoyl)amino]ethyl]benzoic acid
CID 45347543
(E)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 42991733
2,4-dimethoxy-N-[2-(4-propan-2-ylphenyl)ethyl]benzamide
CID 7974411
2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide
CID 110763510
N-[2-(3,4-diethoxyphenyl)ethyl]-2-hydroxy-4-methylbenzamide
CID 33239228
2,5-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 18189798
2-(3-ethoxy-4-methoxyphenyl)ethylcarbamic acid
CID 16638088
N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2,5-dimethoxybenzamide
CID 164627851
N-[(4-butoxy-3-methoxyphenyl)methyl]-2,4-dimethoxybenzamide
CID 39971385
2-amino-N-[2-(3,4-diethoxyphenyl)ethyl]benzamide
CID 119943708
N-[2-(3,4-diethoxyphenyl)ethyl]-4-(4-methoxyphenoxy)butanamide
CID 26120273
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-fluoro-4-methoxybenzamide
CID 86981597

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-2,4-dimethoxybenzamide?
The IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-2,4-dimethoxybenzamide (CID 9474056) is N-[2-(3,4-diethoxyphenyl)ethyl]-2,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-(3,4-diethoxyphenyl)ethyl]-2,4-dimethoxybenzamide?
The canonical SMILES for N-[2-(3,4-diethoxyphenyl)ethyl]-2,4-dimethoxybenzamide is CCOc1ccc(CCNC(=O)c2ccc(OC)cc2OC)cc1OCC.
What is the InChIKey of N-[2-(3,4-diethoxyphenyl)ethyl]-2,4-dimethoxybenzamide?
The InChIKey is MWIIQSOSXODQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO5/c1-5-26-18-10-7-15(13-20(18)27-6-2)11-12-22-21(23)17-9-8-16(24-3)14-19(17)25-4/h7-10,13-14H,5-6,11-12H2,1-4H3,(H,22,23).
What are the key properties of N-[2-(3,4-diethoxyphenyl)ethyl]-2,4-dimethoxybenzamide?
N-[2-(3,4-diethoxyphenyl)ethyl]-2,4-dimethoxybenzamide has a molecular weight of 373.45 g/mol, XLogP of 3.47, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-diethoxyphenyl)ethyl]-2,4-dimethoxybenzamide is sourced from PubChem (CID 9474056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).