2,2-dimethyl-N-[3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]phenyl]propanamide

C22H28N2O5 — CID 30671146

IUPAC2,2-dimethyl-N-[3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]phenyl]propanamide
SMILESCOc1cc(CC(=O)Nc2cccc(NC(=O)C(C)(C)C)c2)cc(OC)c1OC
InChIInChI=1S/C22H28N2O5/c1-22(2,3)21(26)24-16-9-7-8-15(13-16)23-19(25)12-14-10-17(27-4)20(29-6)18(11-14)28-5/h7-11,13H,12H2,1-6H3,(H,23,25)(H,24,26)
InChIKeyZXURKPSYGXFMOL-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.88
Rot. Bonds7

About 2,2-dimethyl-N-[3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]phenyl]propanamide

2,2-dimethyl-N-[3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]phenyl]propanamide (PubChem CID 30671146) has the molecular formula C22H28N2O5 and a molecular weight of 400.48 g/mol. Its IUPAC name is 2,2-dimethyl-N-[3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]phenyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]phenyl]propanamide
PubChem CID30671146
Molecular FormulaC22H28N2O5
Molecular Weight400.48 g/mol
Exact Mass400.20
IUPAC Name2,2-dimethyl-N-[3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]phenyl]propanamide
SMILESCOc1cc(CC(=O)Nc2cccc(NC(=O)C(C)(C)C)c2)cc(OC)c1OC
InChIInChI=1S/C22H28N2O5/c1-22(2,3)21(26)24-16-9-7-8-15(13-16)23-19(25)12-14-10-17(27-4)20(29-6)18(11-14)28-5/h7-11,13H,12H2,1-6H3,(H,23,25)(H,24,26)
InChIKeyZXURKPSYGXFMOL-UHFFFAOYSA-N
XLogP3.88
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2,2-dimethyl-N-[3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]phenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]phenyl]propanamide
CID 39991372
N-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 17296413
N-(3-iodophenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 26517733
N-(3-acetylphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2406485
2-[3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]phenyl]acetic acid
CID 119351773
N-[3-(difluoromethoxy)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 55742320
N-pyridin-4-yl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 27700068
N-(4-acetamidophenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 4884121
3,4,5-trimethoxy-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide
CID 17235540
N-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2665020
N-(2-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2599423
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 56507447

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]phenyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]phenyl]propanamide (CID 30671146) is 2,2-dimethyl-N-[3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]phenyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]phenyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]phenyl]propanamide is COc1cc(CC(=O)Nc2cccc(NC(=O)C(C)(C)C)c2)cc(OC)c1OC.
What is the InChIKey of 2,2-dimethyl-N-[3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]phenyl]propanamide?
The InChIKey is ZXURKPSYGXFMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O5/c1-22(2,3)21(26)24-16-9-7-8-15(13-16)23-19(25)12-14-10-17(27-4)20(29-6)18(11-14)28-5/h7-11,13H,12H2,1-6H3,(H,23,25)(H,24,26).
What are the key properties of 2,2-dimethyl-N-[3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]phenyl]propanamide?
2,2-dimethyl-N-[3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]phenyl]propanamide has a molecular weight of 400.48 g/mol, XLogP of 3.88, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]phenyl]propanamide is sourced from PubChem (CID 30671146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).