N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-ethoxy-3-methoxybenzamide

C22H30N2O3 — CID 46522678

IUPACN-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-ethoxy-3-methoxybenzamide
SMILESCCOc1ccc(C(=O)NCC(c2ccc(CC)cc2)N(C)C)cc1OC
InChIInChI=1S/C22H30N2O3/c1-6-16-8-10-17(11-9-16)19(24(3)4)15-23-22(25)18-12-13-20(27-7-2)21(14-18)26-5/h8-14,19H,6-7,15H2,1-5H3,(H,23,25)
InChIKeyNVMRIRKLFLWVBB-UHFFFAOYSA-N
MW370.49 g/mol
LogP3.69
Rot. Bonds9

About N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-ethoxy-3-methoxybenzamide

N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-ethoxy-3-methoxybenzamide (PubChem CID 46522678) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-ethoxy-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-ethoxy-3-methoxybenzamide
PubChem CID46522678
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC NameN-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-ethoxy-3-methoxybenzamide
SMILESCCOc1ccc(C(=O)NCC(c2ccc(CC)cc2)N(C)C)cc1OC
InChIInChI=1S/C22H30N2O3/c1-6-16-8-10-17(11-9-16)19(24(3)4)15-23-22(25)18-12-13-20(27-7-2)21(14-18)26-5/h8-14,19H,6-7,15H2,1-5H3,(H,23,25)
InChIKeyNVMRIRKLFLWVBB-UHFFFAOYSA-N
XLogP3.69
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-2-phenylethyl]-4-ethoxy-3-methoxybenzamide
CID 51166343
N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-3,4-diethoxybenzamide
CID 7495926
N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,4-dimethoxybenzamide
CID 2129227
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,4-dimethoxybenzamide
CID 3564631
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-methoxybenzamide
CID 112506532
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-ethoxy-3-methoxybenzamide
CID 51162709
4-ethoxy-N-(2-hydroxypropyl)-3-methoxybenzamide
CID 43391198
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3,4-diethoxybenzamide
CID 90613391
N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-4-methoxybenzamide
CID 45001600
N-[2-(dimethylamino)-2-phenylethyl]-3-[(4-ethylphenyl)sulfamoyl]-4-methoxybenzamide
CID 24536279
N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-fluoro-4-methoxybenzamide
CID 40901223
N-[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]-4-ethylbenzamide
CID 8893146

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-ethoxy-3-methoxybenzamide?
The IUPAC name of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-ethoxy-3-methoxybenzamide (CID 46522678) is N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-ethoxy-3-methoxybenzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-ethoxy-3-methoxybenzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-ethoxy-3-methoxybenzamide is CCOc1ccc(C(=O)NCC(c2ccc(CC)cc2)N(C)C)cc1OC.
What is the InChIKey of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-ethoxy-3-methoxybenzamide?
The InChIKey is NVMRIRKLFLWVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-6-16-8-10-17(11-9-16)19(24(3)4)15-23-22(25)18-12-13-20(27-7-2)21(14-18)26-5/h8-14,19H,6-7,15H2,1-5H3,(H,23,25).
What are the key properties of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-ethoxy-3-methoxybenzamide?
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-ethoxy-3-methoxybenzamide has a molecular weight of 370.49 g/mol, XLogP of 3.69, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-ethoxy-3-methoxybenzamide is sourced from PubChem (CID 46522678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).