N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-4-(4-methylphenyl)butanamide

C23H32N2O3 — CID 110302842

IUPACN-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-4-(4-methylphenyl)butanamide
SMILESCOc1ccc(C(CNC(=O)CCCc2ccc(C)cc2)N(C)C)cc1OC
InChIInChI=1S/C23H32N2O3/c1-17-9-11-18(12-10-17)7-6-8-23(26)24-16-20(25(2)3)19-13-14-21(27-4)22(15-19)28-5/h9-15,20H,6-8,16H2,1-5H3,(H,24,26)
InChIKeyAHIPLVBPIUUPIF-UHFFFAOYSA-N
MW384.52 g/mol
LogP3.75
Rot. Bonds10

About N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-4-(4-methylphenyl)butanamide

N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-4-(4-methylphenyl)butanamide (PubChem CID 110302842) has the molecular formula C23H32N2O3 and a molecular weight of 384.52 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-4-(4-methylphenyl)butanamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-4-(4-methylphenyl)butanamide
PubChem CID110302842
Molecular FormulaC23H32N2O3
Molecular Weight384.52 g/mol
Exact Mass384.24
IUPAC NameN-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-4-(4-methylphenyl)butanamide
SMILESCOc1ccc(C(CNC(=O)CCCc2ccc(C)cc2)N(C)C)cc1OC
InChIInChI=1S/C23H32N2O3/c1-17-9-11-18(12-10-17)7-6-8-23(26)24-16-20(25(2)3)19-13-14-21(27-4)22(15-19)28-5/h9-15,20H,6-8,16H2,1-5H3,(H,24,26)
InChIKeyAHIPLVBPIUUPIF-UHFFFAOYSA-N
XLogP3.75
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 2998274
N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-3-phenoxypropanamide
CID 112504169
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-(4-fluorophenyl)pentanamide
CID 110302068
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide
CID 43886279
N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]-3-(4-methylphenyl)propanamide
CID 110356474
3-(3-bromo-4-methoxyphenyl)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]propanamide
CID 43067259
N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 41318325
2-methyl-3-[4-(4-methylphenyl)butanoylamino]propanoic acid
CID 119236583
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-(3,4-dimethylphenoxy)propanamide
CID 47082053
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(4-ethylphenyl)propanamide
CID 43044979
(E)-N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-2-methyl-3-phenylprop-2-enamide
CID 110302846
1-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-3-[2-(3-methoxy-4-methylphenyl)ethyl]-2-methylguanidine
CID 111590004

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-4-(4-methylphenyl)butanamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-4-(4-methylphenyl)butanamide (CID 110302842) is N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-4-(4-methylphenyl)butanamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-4-(4-methylphenyl)butanamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-4-(4-methylphenyl)butanamide is COc1ccc(C(CNC(=O)CCCc2ccc(C)cc2)N(C)C)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-4-(4-methylphenyl)butanamide?
The InChIKey is AHIPLVBPIUUPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3/c1-17-9-11-18(12-10-17)7-6-8-23(26)24-16-20(25(2)3)19-13-14-21(27-4)22(15-19)28-5/h9-15,20H,6-8,16H2,1-5H3,(H,24,26).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-4-(4-methylphenyl)butanamide?
N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-4-(4-methylphenyl)butanamide has a molecular weight of 384.52 g/mol, XLogP of 3.75, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-4-(4-methylphenyl)butanamide is sourced from PubChem (CID 110302842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).