N-[5-[(dimethylamino)methyl]-2-methylphenyl]-2-ethoxy-5-methylbenzamide

C20H26N2O2 — CID 167958385

IUPACN-[5-[(dimethylamino)methyl]-2-methylphenyl]-2-ethoxy-5-methylbenzamide
SMILESCCOc1ccc(C)cc1C(=O)Nc1cc(CN(C)C)ccc1C
InChIInChI=1S/C20H26N2O2/c1-6-24-19-10-7-14(2)11-17(19)20(23)21-18-12-16(13-22(4)5)9-8-15(18)3/h7-12H,6,13H2,1-5H3,(H,21,23)
InChIKeyLPUZYLBYTYDKMW-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.02
Rot. Bonds6

About N-[5-[(dimethylamino)methyl]-2-methylphenyl]-2-ethoxy-5-methylbenzamide

N-[5-[(dimethylamino)methyl]-2-methylphenyl]-2-ethoxy-5-methylbenzamide (PubChem CID 167958385) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[5-[(dimethylamino)methyl]-2-methylphenyl]-2-ethoxy-5-methylbenzamide.

Molecular Properties

Compound NameN-[5-[(dimethylamino)methyl]-2-methylphenyl]-2-ethoxy-5-methylbenzamide
PubChem CID167958385
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC NameN-[5-[(dimethylamino)methyl]-2-methylphenyl]-2-ethoxy-5-methylbenzamide
SMILESCCOc1ccc(C)cc1C(=O)Nc1cc(CN(C)C)ccc1C
InChIInChI=1S/C20H26N2O2/c1-6-24-19-10-7-14(2)11-17(19)20(23)21-18-12-16(13-22(4)5)9-8-15(18)3/h7-12H,6,13H2,1-5H3,(H,21,23)
InChIKeyLPUZYLBYTYDKMW-UHFFFAOYSA-N
XLogP4.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(aminomethyl)-2-methylphenyl]-2-methoxy-5-methylbenzamide
CID 62505777
4-amino-5-chloro-N-[5-[(dimethylamino)methyl]-2-methylphenyl]-2-methoxybenzamide;dihydrochloride
CID 119895304
N-[5-[(dimethylamino)methyl]-2-methylphenyl]-1-(2,5-dimethylphenyl)-5-methylpyrazole-4-carboxamide
CID 99612955
(2,5-dimethylphenyl)-(2-ethoxy-5-methylphenyl)methanone
CID 63496404
N-(2-aminoethyl)-2-ethoxy-5-methylbenzamide
CID 84613985
2-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]acetamide
CID 83624401
N-[5-[(dimethylamino)methyl]-2-methylphenyl]-3-hydroxypyridine-2-carboxamide
CID 167841465
N-(2,5-dimethylphenyl)-2-propoxybenzamide
CID 4947833
N-(2,5-dimethylphenyl)-4-[(2-ethoxy-N-methylsulfonylanilino)methyl]benzamide
CID 53287447
2-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]-2-(4-methylphenyl)acetamide
CID 120670492
N-(4-ethoxy-3-methoxyphenyl)-2,5-dimethylbenzamide
CID 9100356
3-[(2-ethoxybenzoyl)amino]-4-methylbenzoic acid
CID 16789136

Frequently Asked Questions

What is the IUPAC name of N-[5-[(dimethylamino)methyl]-2-methylphenyl]-2-ethoxy-5-methylbenzamide?
The IUPAC name of N-[5-[(dimethylamino)methyl]-2-methylphenyl]-2-ethoxy-5-methylbenzamide (CID 167958385) is N-[5-[(dimethylamino)methyl]-2-methylphenyl]-2-ethoxy-5-methylbenzamide.
What is the SMILES notation for N-[5-[(dimethylamino)methyl]-2-methylphenyl]-2-ethoxy-5-methylbenzamide?
The canonical SMILES for N-[5-[(dimethylamino)methyl]-2-methylphenyl]-2-ethoxy-5-methylbenzamide is CCOc1ccc(C)cc1C(=O)Nc1cc(CN(C)C)ccc1C.
What is the InChIKey of N-[5-[(dimethylamino)methyl]-2-methylphenyl]-2-ethoxy-5-methylbenzamide?
The InChIKey is LPUZYLBYTYDKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-6-24-19-10-7-14(2)11-17(19)20(23)21-18-12-16(13-22(4)5)9-8-15(18)3/h7-12H,6,13H2,1-5H3,(H,21,23).
What are the key properties of N-[5-[(dimethylamino)methyl]-2-methylphenyl]-2-ethoxy-5-methylbenzamide?
N-[5-[(dimethylamino)methyl]-2-methylphenyl]-2-ethoxy-5-methylbenzamide has a molecular weight of 326.44 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(dimethylamino)methyl]-2-methylphenyl]-2-ethoxy-5-methylbenzamide is sourced from PubChem (CID 167958385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).