N-[(2,4-dimethylphenyl)methyl]-3-ethoxy-4-methoxybenzamide

C19H23NO3 — CID 46590873

IUPACN-[(2,4-dimethylphenyl)methyl]-3-ethoxy-4-methoxybenzamide
SMILESCCOc1cc(C(=O)NCc2ccc(C)cc2C)ccc1OC
InChIInChI=1S/C19H23NO3/c1-5-23-18-11-15(8-9-17(18)22-4)19(21)20-12-16-7-6-13(2)10-14(16)3/h6-11H,5,12H2,1-4H3,(H,20,21)
InChIKeyNLSXHRZZNNOYGB-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.64
Rot. Bonds6

About N-[(2,4-dimethylphenyl)methyl]-3-ethoxy-4-methoxybenzamide

N-[(2,4-dimethylphenyl)methyl]-3-ethoxy-4-methoxybenzamide (PubChem CID 46590873) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)methyl]-3-ethoxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)methyl]-3-ethoxy-4-methoxybenzamide
PubChem CID46590873
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC NameN-[(2,4-dimethylphenyl)methyl]-3-ethoxy-4-methoxybenzamide
SMILESCCOc1cc(C(=O)NCc2ccc(C)cc2C)ccc1OC
InChIInChI=1S/C19H23NO3/c1-5-23-18-11-15(8-9-17(18)22-4)19(21)20-12-16-7-6-13(2)10-14(16)3/h6-11H,5,12H2,1-4H3,(H,20,21)
InChIKeyNLSXHRZZNNOYGB-UHFFFAOYSA-N
XLogP3.64
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4-dimethylphenyl)methyl]-4-methoxybenzamide
CID 3289325
N-[(2-ethoxyphenyl)methyl]-3-methoxy-4-methylbenzamide
CID 60565957
N'-(3,4-diethoxybenzoyl)-2,4-dimethylbenzohydrazide
CID 7600078
ethyl 2-[(3-ethoxy-4-methoxybenzoyl)amino]acetate
CID 47257630
N-[(2,4-dimethoxy-3-methylphenyl)methyl]-3,4-dimethoxybenzamide
CID 110783214
3,4-diethoxy-N-[(2-ethoxyphenyl)methyl]benzamide
CID 71822422
3-ethoxy-4-methoxy-N-prop-2-ynylbenzamide
CID 18109976
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethoxy-4-methoxybenzamide
CID 87043362
3,4-diethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 41261631
1-[(3,4-dimethoxyphenyl)methyl]-3-[(2,4-dimethylphenyl)methyl]urea
CID 60541664
3-ethoxy-4-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 39045573
3-ethoxy-4-methoxy-N-[(3-methoxyphenyl)methyl]benzamide
CID 38652199

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)methyl]-3-ethoxy-4-methoxybenzamide?
The IUPAC name of N-[(2,4-dimethylphenyl)methyl]-3-ethoxy-4-methoxybenzamide (CID 46590873) is N-[(2,4-dimethylphenyl)methyl]-3-ethoxy-4-methoxybenzamide.
What is the SMILES notation for N-[(2,4-dimethylphenyl)methyl]-3-ethoxy-4-methoxybenzamide?
The canonical SMILES for N-[(2,4-dimethylphenyl)methyl]-3-ethoxy-4-methoxybenzamide is CCOc1cc(C(=O)NCc2ccc(C)cc2C)ccc1OC.
What is the InChIKey of N-[(2,4-dimethylphenyl)methyl]-3-ethoxy-4-methoxybenzamide?
The InChIKey is NLSXHRZZNNOYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-5-23-18-11-15(8-9-17(18)22-4)19(21)20-12-16-7-6-13(2)10-14(16)3/h6-11H,5,12H2,1-4H3,(H,20,21).
What are the key properties of N-[(2,4-dimethylphenyl)methyl]-3-ethoxy-4-methoxybenzamide?
N-[(2,4-dimethylphenyl)methyl]-3-ethoxy-4-methoxybenzamide has a molecular weight of 313.40 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)methyl]-3-ethoxy-4-methoxybenzamide is sourced from PubChem (CID 46590873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).