3-ethoxy-4-methoxy-N-[(3-methoxyphenyl)methyl]benzamide

C18H21NO4 — CID 38652199

IUPAC3-ethoxy-4-methoxy-N-[(3-methoxyphenyl)methyl]benzamide
SMILESCCOc1cc(C(=O)NCc2cccc(OC)c2)ccc1OC
InChIInChI=1S/C18H21NO4/c1-4-23-17-11-14(8-9-16(17)22-3)18(20)19-12-13-6-5-7-15(10-13)21-2/h5-11H,4,12H2,1-3H3,(H,19,20)
InChIKeyMOLUTIFHGGARJX-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.03
Rot. Bonds7

About 3-ethoxy-4-methoxy-N-[(3-methoxyphenyl)methyl]benzamide

3-ethoxy-4-methoxy-N-[(3-methoxyphenyl)methyl]benzamide (PubChem CID 38652199) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is 3-ethoxy-4-methoxy-N-[(3-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-ethoxy-4-methoxy-N-[(3-methoxyphenyl)methyl]benzamide
PubChem CID38652199
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Name3-ethoxy-4-methoxy-N-[(3-methoxyphenyl)methyl]benzamide
SMILESCCOc1cc(C(=O)NCc2cccc(OC)c2)ccc1OC
InChIInChI=1S/C18H21NO4/c1-4-23-17-11-14(8-9-16(17)22-3)18(20)19-12-13-6-5-7-15(10-13)21-2/h5-11H,4,12H2,1-3H3,(H,19,20)
InChIKeyMOLUTIFHGGARJX-UHFFFAOYSA-N
XLogP3.03
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethoxy-4-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]benzamide
CID 46479176
N-[(3-chlorophenyl)methyl]-3-ethoxy-4-methoxybenzamide
CID 51158727
N-[[3-[[(3,4-dimethoxybenzoyl)amino]methyl]phenyl]methyl]-3,4-dimethoxybenzamide
CID 2841934
N-[(4-ethoxy-3-methylphenyl)methyl]-3-methoxybenzamide
CID 110781923
3-ethoxy-4-methoxy-N-[[4-(phenoxymethyl)phenyl]methyl]benzamide
CID 39508576
N-[(3-ethoxyphenyl)methyl]-3,5-dimethoxybenzamide
CID 92683249
4-methoxy-N-[(3-methoxyphenyl)methyl]-3-nitrobenzamide
CID 7749788
4-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid
CID 61028664
3,4-diethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 41261631
3,4-difluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 30491738
3-N-[(3-methoxyphenyl)methyl]-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 10272573
3,5-diamino-N-[(3-methoxyphenyl)methyl]benzamide
CID 61102924

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-methoxy-N-[(3-methoxyphenyl)methyl]benzamide?
The IUPAC name of 3-ethoxy-4-methoxy-N-[(3-methoxyphenyl)methyl]benzamide (CID 38652199) is 3-ethoxy-4-methoxy-N-[(3-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for 3-ethoxy-4-methoxy-N-[(3-methoxyphenyl)methyl]benzamide?
The canonical SMILES for 3-ethoxy-4-methoxy-N-[(3-methoxyphenyl)methyl]benzamide is CCOc1cc(C(=O)NCc2cccc(OC)c2)ccc1OC.
What is the InChIKey of 3-ethoxy-4-methoxy-N-[(3-methoxyphenyl)methyl]benzamide?
The InChIKey is MOLUTIFHGGARJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-4-23-17-11-14(8-9-16(17)22-3)18(20)19-12-13-6-5-7-15(10-13)21-2/h5-11H,4,12H2,1-3H3,(H,19,20).
What are the key properties of 3-ethoxy-4-methoxy-N-[(3-methoxyphenyl)methyl]benzamide?
3-ethoxy-4-methoxy-N-[(3-methoxyphenyl)methyl]benzamide has a molecular weight of 315.37 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-methoxy-N-[(3-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 38652199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).