N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,5-dimethoxy-4-methylbenzamide

C21H28N2O4 — CID 43003305

IUPACN-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,5-dimethoxy-4-methylbenzamide
SMILESCOc1ccc(C(CNC(=O)c2cc(OC)c(C)c(OC)c2)N(C)C)cc1
InChIInChI=1S/C21H28N2O4/c1-14-19(26-5)11-16(12-20(14)27-6)21(24)22-13-18(23(2)3)15-7-9-17(25-4)10-8-15/h7-12,18H,13H2,1-6H3,(H,22,24)
InChIKeyTVDQGELRXQPUHF-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.05
Rot. Bonds8

About N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,5-dimethoxy-4-methylbenzamide

N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,5-dimethoxy-4-methylbenzamide (PubChem CID 43003305) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,5-dimethoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,5-dimethoxy-4-methylbenzamide
PubChem CID43003305
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC NameN-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,5-dimethoxy-4-methylbenzamide
SMILESCOc1ccc(C(CNC(=O)c2cc(OC)c(C)c(OC)c2)N(C)C)cc1
InChIInChI=1S/C21H28N2O4/c1-14-19(26-5)11-16(12-20(14)27-6)21(24)22-13-18(23(2)3)15-7-9-17(25-4)10-8-15/h7-12,18H,13H2,1-6H3,(H,22,24)
InChIKeyTVDQGELRXQPUHF-UHFFFAOYSA-N
XLogP3.05
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,4-dimethoxybenzamide
CID 3564631
N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,4-dimethoxybenzamide
CID 2129227
N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,4-dimethylbenzamide
CID 7987402
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3,5-dimethoxy-4-methylbenzamide
CID 46446841
N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-fluoro-4-methoxybenzamide
CID 40901223
N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-4-methoxybenzamide
CID 45001600
N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 30474759
5-chloro-N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-methoxybenzamide
CID 9267207
N-[2-(diethylamino)-2-(4-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide
CID 112503668
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 46446864
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-4-(2-phenylethynyl)benzamide
CID 43044722
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-methyl-5-methylsulfonylbenzamide
CID 78768992

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,5-dimethoxy-4-methylbenzamide?
The IUPAC name of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,5-dimethoxy-4-methylbenzamide (CID 43003305) is N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,5-dimethoxy-4-methylbenzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,5-dimethoxy-4-methylbenzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,5-dimethoxy-4-methylbenzamide is COc1ccc(C(CNC(=O)c2cc(OC)c(C)c(OC)c2)N(C)C)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,5-dimethoxy-4-methylbenzamide?
The InChIKey is TVDQGELRXQPUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4/c1-14-19(26-5)11-16(12-20(14)27-6)21(24)22-13-18(23(2)3)15-7-9-17(25-4)10-8-15/h7-12,18H,13H2,1-6H3,(H,22,24).
What are the key properties of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,5-dimethoxy-4-methylbenzamide?
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,5-dimethoxy-4-methylbenzamide has a molecular weight of 372.47 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,5-dimethoxy-4-methylbenzamide is sourced from PubChem (CID 43003305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).