2-[(3,4-dimethoxyphenyl)methylamino]-N-(4-propan-2-ylphenyl)acetamide

C20H26N2O3 — CID 109003078

IUPAC2-[(3,4-dimethoxyphenyl)methylamino]-N-(4-propan-2-ylphenyl)acetamide
SMILESCOc1ccc(CNCC(=O)Nc2ccc(C(C)C)cc2)cc1OC
InChIInChI=1S/C20H26N2O3/c1-14(2)16-6-8-17(9-7-16)22-20(23)13-21-12-15-5-10-18(24-3)19(11-15)25-4/h5-11,14,21H,12-13H2,1-4H3,(H,22,23)
InChIKeyJKGASKKVVGGAOC-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.56
Rot. Bonds8

About 2-[(3,4-dimethoxyphenyl)methylamino]-N-(4-propan-2-ylphenyl)acetamide

2-[(3,4-dimethoxyphenyl)methylamino]-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 109003078) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-[(3,4-dimethoxyphenyl)methylamino]-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[(3,4-dimethoxyphenyl)methylamino]-N-(4-propan-2-ylphenyl)acetamide
PubChem CID109003078
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name2-[(3,4-dimethoxyphenyl)methylamino]-N-(4-propan-2-ylphenyl)acetamide
SMILESCOc1ccc(CNCC(=O)Nc2ccc(C(C)C)cc2)cc1OC
InChIInChI=1S/C20H26N2O3/c1-14(2)16-6-8-17(9-7-16)22-20(23)13-21-12-15-5-10-18(24-3)19(11-15)25-4/h5-11,14,21H,12-13H2,1-4H3,(H,22,23)
InChIKeyJKGASKKVVGGAOC-UHFFFAOYSA-N
XLogP3.56
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-fluorophenyl)methylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 108997765
3-(4-methoxy-3-methylphenyl)-N-(4-propan-2-ylphenyl)propanamide
CID 100550206
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(4-propan-2-ylphenyl)oxamide
CID 2218053
1-(3,4-dimethoxyphenyl)-3-(4-propan-2-ylphenyl)urea
CID 4995213
2-[[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylamino]acetic acid
CID 66527897
2-[(3,4-dimethoxyphenyl)methylamino]-N-(2,5-dimethylphenyl)acetamide
CID 109003069
2-[(3,4-dimethoxyphenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 109003159
N-(2-chloro-4,6-dimethylphenyl)-2-[(3,4-dimethoxyphenyl)methylamino]acetamide
CID 109003093
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-propan-2-ylanilino)acetamide
CID 78793009
2-[4-[(3,4-dimethoxyphenyl)methylamino]-2-oxoquinazolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 56685652
2-[2-methoxy-4-[(3-methylbutylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 17210725
(4-ethoxy-3-methoxyphenyl)methyl-methyl-[2-oxo-2-(4-propan-2-ylanilino)ethyl]azanium
CID 8798352

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethoxyphenyl)methylamino]-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[(3,4-dimethoxyphenyl)methylamino]-N-(4-propan-2-ylphenyl)acetamide (CID 109003078) is 2-[(3,4-dimethoxyphenyl)methylamino]-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[(3,4-dimethoxyphenyl)methylamino]-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[(3,4-dimethoxyphenyl)methylamino]-N-(4-propan-2-ylphenyl)acetamide is COc1ccc(CNCC(=O)Nc2ccc(C(C)C)cc2)cc1OC.
What is the InChIKey of 2-[(3,4-dimethoxyphenyl)methylamino]-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is JKGASKKVVGGAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-14(2)16-6-8-17(9-7-16)22-20(23)13-21-12-15-5-10-18(24-3)19(11-15)25-4/h5-11,14,21H,12-13H2,1-4H3,(H,22,23).
What are the key properties of 2-[(3,4-dimethoxyphenyl)methylamino]-N-(4-propan-2-ylphenyl)acetamide?
2-[(3,4-dimethoxyphenyl)methylamino]-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 342.44 g/mol, XLogP of 3.56, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethoxyphenyl)methylamino]-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 109003078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).