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

C20H26N2O2 — CID 112506532

IUPACN-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-methoxybenzamide
SMILESCCc1ccc(C(CNC(=O)c2cccc(OC)c2)N(C)C)cc1
InChIInChI=1S/C20H26N2O2/c1-5-15-9-11-16(12-10-15)19(22(2)3)14-21-20(23)17-7-6-8-18(13-17)24-4/h6-13,19H,5,14H2,1-4H3,(H,21,23)
InChIKeyKIBANYQQKQWOGI-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.29
Rot. Bonds7

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

N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-methoxybenzamide (PubChem CID 112506532) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-methoxybenzamide
PubChem CID112506532
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC NameN-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-methoxybenzamide
SMILESCCc1ccc(C(CNC(=O)c2cccc(OC)c2)N(C)C)cc1
InChIInChI=1S/C20H26N2O2/c1-5-15-9-11-16(12-10-15)19(22(2)3)14-21-20(23)17-7-6-8-18(13-17)24-4/h6-13,19H,5,14H2,1-4H3,(H,21,23)
InChIKeyKIBANYQQKQWOGI-UHFFFAOYSA-N
XLogP3.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 34972413
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(methylsulfanylmethyl)benzamide
CID 43045032
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-ethoxy-3-methoxybenzamide
CID 46522678
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 42917067
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(4-ethylphenyl)propanamide
CID 43044979
5-bromo-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]thiophene-3-carboxamide
CID 46578078
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-nitrobenzamide
CID 45001537
4-ethyl-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzamide
CID 90623280
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,4-dimethoxybenzamide
CID 3564631
N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,4-dimethylbenzamide
CID 7987402
N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,4-dimethoxybenzamide
CID 2129227
[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 7881831

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-methoxybenzamide?
The IUPAC name of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-methoxybenzamide (CID 112506532) is N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-methoxybenzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-methoxybenzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-methoxybenzamide is CCc1ccc(C(CNC(=O)c2cccc(OC)c2)N(C)C)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-methoxybenzamide?
The InChIKey is KIBANYQQKQWOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-5-15-9-11-16(12-10-15)19(22(2)3)14-21-20(23)17-7-6-8-18(13-17)24-4/h6-13,19H,5,14H2,1-4H3,(H,21,23).
What are the key properties of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-methoxybenzamide?
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-methoxybenzamide has a molecular weight of 326.44 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-methoxybenzamide is sourced from PubChem (CID 112506532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).