N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-(3,4-dimethylphenoxy)propanamide

C22H30N2O2 — CID 47082053

IUPACN-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-(3,4-dimethylphenoxy)propanamide
SMILESCc1ccc(C(CNC(=O)CCOc2ccc(C)c(C)c2)N(C)C)cc1
InChIInChI=1S/C22H30N2O2/c1-16-6-9-19(10-7-16)21(24(4)5)15-23-22(25)12-13-26-20-11-8-17(2)18(3)14-20/h6-11,14,21H,12-13,15H2,1-5H3,(H,23,25)
InChIKeyYYFAIFQQEKHYFQ-UHFFFAOYSA-N
MW354.49 g/mol
LogP3.80
Rot. Bonds8

About N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-(3,4-dimethylphenoxy)propanamide

N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-(3,4-dimethylphenoxy)propanamide (PubChem CID 47082053) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-(3,4-dimethylphenoxy)propanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-(3,4-dimethylphenoxy)propanamide
PubChem CID47082053
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC NameN-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-(3,4-dimethylphenoxy)propanamide
SMILESCc1ccc(C(CNC(=O)CCOc2ccc(C)c(C)c2)N(C)C)cc1
InChIInChI=1S/C22H30N2O2/c1-16-6-9-19(10-7-16)21(24(4)5)15-23-22(25)12-13-26-20-11-8-17(2)18(3)14-20/h6-11,14,21H,12-13,15H2,1-5H3,(H,23,25)
InChIKeyYYFAIFQQEKHYFQ-UHFFFAOYSA-N
XLogP3.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(3,4-dimethylphenoxy)propanoylamino]-2-methylpropanoic acid
CID 62676390
N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 41318325
N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 45001670
N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(3,4-dimethylphenoxy)acetamide
CID 30525493
N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-phenoxyacetamide
CID 41318293
N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-3-phenoxypropanamide
CID 112504169
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanamide
CID 43044730
N-(2-ethylbutyl)-3-(4-methylphenoxy)propanamide
CID 115612574
N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,4-dimethylbenzamide
CID 7987402
2-(4-chloro-3-methylphenoxy)-N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]acetamide
CID 39835153
3-(3,4-dimethylphenoxy)-N-(5-methyl-2-pyridinyl)propanamide
CID 47023614
3-(3,4-dimethylphenoxy)-N-(5-hydroxy-4-methylpentyl)propanamide
CID 103861596

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-(3,4-dimethylphenoxy)propanamide?
The IUPAC name of N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-(3,4-dimethylphenoxy)propanamide (CID 47082053) is N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-(3,4-dimethylphenoxy)propanamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-(3,4-dimethylphenoxy)propanamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-(3,4-dimethylphenoxy)propanamide is Cc1ccc(C(CNC(=O)CCOc2ccc(C)c(C)c2)N(C)C)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-(3,4-dimethylphenoxy)propanamide?
The InChIKey is YYFAIFQQEKHYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-16-6-9-19(10-7-16)21(24(4)5)15-23-22(25)12-13-26-20-11-8-17(2)18(3)14-20/h6-11,14,21H,12-13,15H2,1-5H3,(H,23,25).
What are the key properties of N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-(3,4-dimethylphenoxy)propanamide?
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-(3,4-dimethylphenoxy)propanamide has a molecular weight of 354.49 g/mol, XLogP of 3.80, 8 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-methylphenyl)ethyl]-3-(3,4-dimethylphenoxy)propanamide is sourced from PubChem (CID 47082053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).