4-ethoxy-3-methyl-N-[3-(propan-2-yloxymethyl)phenyl]benzamide

C20H25NO3 — CID 86938203

IUPAC4-ethoxy-3-methyl-N-[3-(propan-2-yloxymethyl)phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2cccc(COC(C)C)c2)cc1C
InChIInChI=1S/C20H25NO3/c1-5-23-19-10-9-17(11-15(19)4)20(22)21-18-8-6-7-16(12-18)13-24-14(2)3/h6-12,14H,5,13H2,1-4H3,(H,21,22)
InChIKeyXRHJUWWLFNTUBD-UHFFFAOYSA-N
MW327.42 g/mol
LogP4.57
Rot. Bonds7

About 4-ethoxy-3-methyl-N-[3-(propan-2-yloxymethyl)phenyl]benzamide

4-ethoxy-3-methyl-N-[3-(propan-2-yloxymethyl)phenyl]benzamide (PubChem CID 86938203) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 4-ethoxy-3-methyl-N-[3-(propan-2-yloxymethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-3-methyl-N-[3-(propan-2-yloxymethyl)phenyl]benzamide
PubChem CID86938203
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name4-ethoxy-3-methyl-N-[3-(propan-2-yloxymethyl)phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2cccc(COC(C)C)c2)cc1C
InChIInChI=1S/C20H25NO3/c1-5-23-19-10-9-17(11-15(19)4)20(22)21-18-8-6-7-16(12-18)13-24-14(2)3/h6-12,14H,5,13H2,1-4H3,(H,21,22)
InChIKeyXRHJUWWLFNTUBD-UHFFFAOYSA-N
XLogP4.57
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(aminomethyl)phenyl]-3,4-diethoxybenzamide
CID 16778324
4-ethoxy-3-methyl-N-(4-phenylmethoxyphenyl)benzamide
CID 30147613
4-ethoxy-3-methyl-N-(2-propan-2-yloxyphenyl)benzamide
CID 86938124
N-(3-methylphenyl)-4-(propan-2-yloxymethyl)benzamide
CID 8573875
3-ethoxy-N-(3-hydroxyphenyl)-4-phenylmethoxybenzamide
CID 126089788
N-(2,6-dichlorophenyl)-4-ethoxy-3-methylbenzamide
CID 30147579
4-ethoxy-3-methyl-N-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]benzamide
CID 86938322
2-bromo-6-methyl-N-[3-(propan-2-yloxymethyl)phenyl]benzamide
CID 167809651
5-amino-2-methyl-N-[3-(propan-2-yloxymethyl)phenyl]benzamide
CID 120626212
N-(3-chlorophenyl)-3-ethoxy-4-phenylmethoxybenzamide
CID 2192184
4-fluoro-N-[3-(methoxymethyl)phenyl]-3-methylbenzamide
CID 63213049
N-(4-amino-3,5-dichlorophenyl)-4-ethoxy-3-methylbenzamide
CID 86938466

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-methyl-N-[3-(propan-2-yloxymethyl)phenyl]benzamide?
The IUPAC name of 4-ethoxy-3-methyl-N-[3-(propan-2-yloxymethyl)phenyl]benzamide (CID 86938203) is 4-ethoxy-3-methyl-N-[3-(propan-2-yloxymethyl)phenyl]benzamide.
What is the SMILES notation for 4-ethoxy-3-methyl-N-[3-(propan-2-yloxymethyl)phenyl]benzamide?
The canonical SMILES for 4-ethoxy-3-methyl-N-[3-(propan-2-yloxymethyl)phenyl]benzamide is CCOc1ccc(C(=O)Nc2cccc(COC(C)C)c2)cc1C.
What is the InChIKey of 4-ethoxy-3-methyl-N-[3-(propan-2-yloxymethyl)phenyl]benzamide?
The InChIKey is XRHJUWWLFNTUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-5-23-19-10-9-17(11-15(19)4)20(22)21-18-8-6-7-16(12-18)13-24-14(2)3/h6-12,14H,5,13H2,1-4H3,(H,21,22).
What are the key properties of 4-ethoxy-3-methyl-N-[3-(propan-2-yloxymethyl)phenyl]benzamide?
4-ethoxy-3-methyl-N-[3-(propan-2-yloxymethyl)phenyl]benzamide has a molecular weight of 327.42 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-methyl-N-[3-(propan-2-yloxymethyl)phenyl]benzamide is sourced from PubChem (CID 86938203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).