N-[[4-(ethoxymethyl)phenyl]methyl]-3-(methoxymethyl)benzamide

C19H23NO3 — CID 37358180

IUPACN-[[4-(ethoxymethyl)phenyl]methyl]-3-(methoxymethyl)benzamide
SMILESCCOCc1ccc(CNC(=O)c2cccc(COC)c2)cc1
InChIInChI=1S/C19H23NO3/c1-3-23-14-16-9-7-15(8-10-16)12-20-19(21)18-6-4-5-17(11-18)13-22-2/h4-11H,3,12-14H2,1-2H3,(H,20,21)
InChIKeyNLOWAHODIVGBDJ-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.30
Rot. Bonds8

About N-[[4-(ethoxymethyl)phenyl]methyl]-3-(methoxymethyl)benzamide

N-[[4-(ethoxymethyl)phenyl]methyl]-3-(methoxymethyl)benzamide (PubChem CID 37358180) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[[4-(ethoxymethyl)phenyl]methyl]-3-(methoxymethyl)benzamide.

Molecular Properties

Compound NameN-[[4-(ethoxymethyl)phenyl]methyl]-3-(methoxymethyl)benzamide
PubChem CID37358180
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC NameN-[[4-(ethoxymethyl)phenyl]methyl]-3-(methoxymethyl)benzamide
SMILESCCOCc1ccc(CNC(=O)c2cccc(COC)c2)cc1
InChIInChI=1S/C19H23NO3/c1-3-23-14-16-9-7-15(8-10-16)12-20-19(21)18-6-4-5-17(11-18)13-22-2/h4-11H,3,12-14H2,1-2H3,(H,20,21)
InChIKeyNLOWAHODIVGBDJ-UHFFFAOYSA-N
XLogP3.30
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-3-(methoxymethyl)benzamide
CID 7603190
3-bromo-N-[[4-(methoxymethyl)phenyl]methyl]benzamide
CID 39271149
3-(methoxymethyl)-N-propylbenzamide
CID 60667721
N-ethyl-4-[[[4-(methoxymethyl)benzoyl]amino]methyl]benzamide
CID 86990014
N-[2-(dimethylamino)-2-oxoethyl]-3-(methoxymethyl)benzamide
CID 9481032
N-(furan-2-ylmethyl)-3-(methoxymethyl)benzamide
CID 35808973
3-(methoxymethyl)-N-prop-2-ynylbenzamide
CID 51219689
3-ethoxy-4-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]benzamide
CID 46479176
N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-3-methylsulfonylbenzamide
CID 39586980
N-[(3-chlorophenyl)methyl]-4-(methoxymethyl)benzamide
CID 51176578
N-[[3-(ethylcarbamoyl)phenyl]methyl]-5-(methoxymethyl)furan-2-carboxamide
CID 78878242
1-[(4-fluorophenyl)methyl]-3-[[3-(methoxymethyl)benzoyl]amino]thiourea
CID 8942802

Frequently Asked Questions

What is the IUPAC name of N-[[4-(ethoxymethyl)phenyl]methyl]-3-(methoxymethyl)benzamide?
The IUPAC name of N-[[4-(ethoxymethyl)phenyl]methyl]-3-(methoxymethyl)benzamide (CID 37358180) is N-[[4-(ethoxymethyl)phenyl]methyl]-3-(methoxymethyl)benzamide.
What is the SMILES notation for N-[[4-(ethoxymethyl)phenyl]methyl]-3-(methoxymethyl)benzamide?
The canonical SMILES for N-[[4-(ethoxymethyl)phenyl]methyl]-3-(methoxymethyl)benzamide is CCOCc1ccc(CNC(=O)c2cccc(COC)c2)cc1.
What is the InChIKey of N-[[4-(ethoxymethyl)phenyl]methyl]-3-(methoxymethyl)benzamide?
The InChIKey is NLOWAHODIVGBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-3-23-14-16-9-7-15(8-10-16)12-20-19(21)18-6-4-5-17(11-18)13-22-2/h4-11H,3,12-14H2,1-2H3,(H,20,21).
What are the key properties of N-[[4-(ethoxymethyl)phenyl]methyl]-3-(methoxymethyl)benzamide?
N-[[4-(ethoxymethyl)phenyl]methyl]-3-(methoxymethyl)benzamide has a molecular weight of 313.40 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(ethoxymethyl)phenyl]methyl]-3-(methoxymethyl)benzamide is sourced from PubChem (CID 37358180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).