3,4-diethoxy-N-[2-(ethylaminomethyl)phenyl]benzamide

C20H26N2O3 — CID 119438964

IUPAC3,4-diethoxy-N-[2-(ethylaminomethyl)phenyl]benzamide
SMILESCCNCc1ccccc1NC(=O)c1ccc(OCC)c(OCC)c1
InChIInChI=1S/C20H26N2O3/c1-4-21-14-16-9-7-8-10-17(16)22-20(23)15-11-12-18(24-5-2)19(13-15)25-6-3/h7-13,21H,4-6,14H2,1-3H3,(H,22,23)
InChIKeyKCZNLAKURRWIFA-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.85
Rot. Bonds9

About 3,4-diethoxy-N-[2-(ethylaminomethyl)phenyl]benzamide

3,4-diethoxy-N-[2-(ethylaminomethyl)phenyl]benzamide (PubChem CID 119438964) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 3,4-diethoxy-N-[2-(ethylaminomethyl)phenyl]benzamide.

Molecular Properties

Compound Name3,4-diethoxy-N-[2-(ethylaminomethyl)phenyl]benzamide
PubChem CID119438964
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name3,4-diethoxy-N-[2-(ethylaminomethyl)phenyl]benzamide
SMILESCCNCc1ccccc1NC(=O)c1ccc(OCC)c(OCC)c1
InChIInChI=1S/C20H26N2O3/c1-4-21-14-16-9-7-8-10-17(16)22-20(23)15-11-12-18(24-5-2)19(13-15)25-6-3/h7-13,21H,4-6,14H2,1-3H3,(H,22,23)
InChIKeyKCZNLAKURRWIFA-UHFFFAOYSA-N
XLogP3.85
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-diethoxy-N-[2-(methylaminomethyl)phenyl]benzamide
CID 119437877
N-[2-(ethylaminomethyl)phenyl]-3-methoxy-4-prop-2-enoxybenzamide
CID 119440436
4-butoxy-3-ethoxy-N-(2-ethylphenyl)benzamide
CID 8839335
N-[2-(ethylaminomethyl)phenyl]-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzamide
CID 119439139
3,4-diethoxy-N-(2-methoxyphenyl)benzamide
CID 669527
N-[2-(ethylaminomethyl)phenyl]-3,4-dimethylbenzamide;hydrochloride
CID 119440699
3,4-diethoxy-N-[2-(methylcarbamoyl)phenyl]benzamide
CID 34752310
N-[2-(butanoylamino)phenyl]-3,4-diethoxybenzamide
CID 1307408
4-acetyl-N-[2-(ethylaminomethyl)phenyl]benzamide;hydrochloride
CID 86779920
N-[2-(ethylaminomethyl)phenyl]-3,5-dimethylbenzamide
CID 43601336
3-bromo-N-[2-(ethylaminomethyl)phenyl]-4-methylbenzamide
CID 81459743
N-[2-(ethylaminomethyl)phenyl]-4-(2-methoxyethoxy)benzamide
CID 119439770

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-[2-(ethylaminomethyl)phenyl]benzamide?
The IUPAC name of 3,4-diethoxy-N-[2-(ethylaminomethyl)phenyl]benzamide (CID 119438964) is 3,4-diethoxy-N-[2-(ethylaminomethyl)phenyl]benzamide.
What is the SMILES notation for 3,4-diethoxy-N-[2-(ethylaminomethyl)phenyl]benzamide?
The canonical SMILES for 3,4-diethoxy-N-[2-(ethylaminomethyl)phenyl]benzamide is CCNCc1ccccc1NC(=O)c1ccc(OCC)c(OCC)c1.
What is the InChIKey of 3,4-diethoxy-N-[2-(ethylaminomethyl)phenyl]benzamide?
The InChIKey is KCZNLAKURRWIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-4-21-14-16-9-7-8-10-17(16)22-20(23)15-11-12-18(24-5-2)19(13-15)25-6-3/h7-13,21H,4-6,14H2,1-3H3,(H,22,23).
What are the key properties of 3,4-diethoxy-N-[2-(ethylaminomethyl)phenyl]benzamide?
3,4-diethoxy-N-[2-(ethylaminomethyl)phenyl]benzamide has a molecular weight of 342.44 g/mol, XLogP of 3.85, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-[2-(ethylaminomethyl)phenyl]benzamide is sourced from PubChem (CID 119438964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).