N-[(3-ethoxyphenyl)methyl]-3,5-dimethoxybenzamide

C18H21NO4 — CID 92683249

IUPACN-[(3-ethoxyphenyl)methyl]-3,5-dimethoxybenzamide
SMILESCCOc1cccc(CNC(=O)c2cc(OC)cc(OC)c2)c1
InChIInChI=1S/C18H21NO4/c1-4-23-15-7-5-6-13(8-15)12-19-18(20)14-9-16(21-2)11-17(10-14)22-3/h5-11H,4,12H2,1-3H3,(H,19,20)
InChIKeyCDDZOLGUMQRVSN-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.03
Rot. Bonds7

About N-[(3-ethoxyphenyl)methyl]-3,5-dimethoxybenzamide

N-[(3-ethoxyphenyl)methyl]-3,5-dimethoxybenzamide (PubChem CID 92683249) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-[(3-ethoxyphenyl)methyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(3-ethoxyphenyl)methyl]-3,5-dimethoxybenzamide
PubChem CID92683249
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC NameN-[(3-ethoxyphenyl)methyl]-3,5-dimethoxybenzamide
SMILESCCOc1cccc(CNC(=O)c2cc(OC)cc(OC)c2)c1
InChIInChI=1S/C18H21NO4/c1-4-23-15-7-5-6-13(8-15)12-19-18(20)14-9-16(21-2)11-17(10-14)22-3/h5-11H,4,12H2,1-3H3,(H,19,20)
InChIKeyCDDZOLGUMQRVSN-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

N-[2-(3-ethoxyphenoxy)ethyl]-3,5-dimethoxybenzamide
CID 113100586
N-[(3-ethoxyphenyl)methyl]-3-methylbenzamide
CID 28572765
3-ethoxy-4-methoxy-N-[(3-methoxyphenyl)methyl]benzamide
CID 38652199
N-[(3-chloro-4-ethoxyphenyl)methyl]-3,5-dimethoxybenzamide
CID 110782051
3,5-diamino-N-[(3-methoxyphenyl)methyl]benzamide
CID 61102924
N-[(3-ethoxyphenyl)methyl]-4-nitrobenzamide
CID 71820489
4-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid
CID 61028664
N-[(4-ethoxy-3-methylphenyl)methyl]-3-methoxybenzamide
CID 110781923
2-benzoyl-N-[(3-ethoxyphenyl)methyl]benzamide
CID 55843893
4-methoxy-N-[[3-[[(4-methoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 4118576
3-N-[(3-methoxyphenyl)methyl]-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 10272573
N-[(3-hydroxyphenyl)methyl]-3-methoxybenzamide
CID 47292174

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxyphenyl)methyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[(3-ethoxyphenyl)methyl]-3,5-dimethoxybenzamide (CID 92683249) is N-[(3-ethoxyphenyl)methyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[(3-ethoxyphenyl)methyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[(3-ethoxyphenyl)methyl]-3,5-dimethoxybenzamide is CCOc1cccc(CNC(=O)c2cc(OC)cc(OC)c2)c1.
What is the InChIKey of N-[(3-ethoxyphenyl)methyl]-3,5-dimethoxybenzamide?
The InChIKey is CDDZOLGUMQRVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-4-23-15-7-5-6-13(8-15)12-19-18(20)14-9-16(21-2)11-17(10-14)22-3/h5-11H,4,12H2,1-3H3,(H,19,20).
What are the key properties of N-[(3-ethoxyphenyl)methyl]-3,5-dimethoxybenzamide?
N-[(3-ethoxyphenyl)methyl]-3,5-dimethoxybenzamide 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 N-[(3-ethoxyphenyl)methyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 92683249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).