4,5-dimethoxy-2-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-N,N-dimethylbenzamide

C22H28N2O6 — CID 46404987

IUPAC4,5-dimethoxy-2-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-N,N-dimethylbenzamide
SMILESCOc1cc(NC(=O)c2ccc(OC(C)C)c(OC)c2)c(C(=O)N(C)C)cc1OC
InChIInChI=1S/C22H28N2O6/c1-13(2)30-17-9-8-14(10-18(17)27-5)21(25)23-16-12-20(29-7)19(28-6)11-15(16)22(26)24(3)4/h8-13H,1-7H3,(H,23,25)
InChIKeyZQJCOLCZLYUQCT-UHFFFAOYSA-N
MW416.47 g/mol
LogP3.45
Rot. Bonds8

About 4,5-dimethoxy-2-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-N,N-dimethylbenzamide

4,5-dimethoxy-2-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-N,N-dimethylbenzamide (PubChem CID 46404987) has the molecular formula C22H28N2O6 and a molecular weight of 416.47 g/mol. Its IUPAC name is 4,5-dimethoxy-2-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4,5-dimethoxy-2-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-N,N-dimethylbenzamide
PubChem CID46404987
Molecular FormulaC22H28N2O6
Molecular Weight416.47 g/mol
Exact Mass416.19
IUPAC Name4,5-dimethoxy-2-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-N,N-dimethylbenzamide
SMILESCOc1cc(NC(=O)c2ccc(OC(C)C)c(OC)c2)c(C(=O)N(C)C)cc1OC
InChIInChI=1S/C22H28N2O6/c1-13(2)30-17-9-8-14(10-18(17)27-5)21(25)23-16-12-20(29-7)19(28-6)11-15(16)22(26)24(3)4/h8-13H,1-7H3,(H,23,25)
InChIKeyZQJCOLCZLYUQCT-UHFFFAOYSA-N
XLogP3.45
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.47
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(dimethylcarbamoyl)-4,5-dimethoxyphenyl]-6-methoxypyridine-3-carboxamide
CID 32514301
2-[(3,5-dimethylbenzoyl)amino]-4,5-dimethoxy-N,N-dimethylbenzamide
CID 32509130
N-[2-(dimethylcarbamoyl)-4,5-dimethoxyphenyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 32516317
3-methoxy-N-(4-methylphenyl)-4-propan-2-yloxybenzamide
CID 6457881
3-methoxy-N-naphthalen-1-yl-4-propan-2-yloxybenzamide
CID 112762780
N-(5-amino-2-methylphenyl)-3-methoxy-4-propan-2-yloxybenzamide;hydrochloride
CID 120568157
4,5-dimethoxy-N,N-dimethyl-2-(4-methylpentanoylamino)benzamide
CID 32511429
N-(3,4-dichlorophenyl)-3-methoxy-4-propan-2-yloxybenzamide
CID 2223889
4,5-dimethoxy-N,N-dimethyl-2-[[2-(4-methylphenyl)-2-oxoacetyl]amino]benzamide
CID 32516391
N-(3,4-difluorophenyl)-3-methoxy-4-propan-2-yloxybenzamide
CID 51159004
N'-acetyl-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 46656614
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-4-propan-2-yloxybenzamide
CID 2980923

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-2-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-N,N-dimethylbenzamide?
The IUPAC name of 4,5-dimethoxy-2-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-N,N-dimethylbenzamide (CID 46404987) is 4,5-dimethoxy-2-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4,5-dimethoxy-2-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-N,N-dimethylbenzamide?
The canonical SMILES for 4,5-dimethoxy-2-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-N,N-dimethylbenzamide is COc1cc(NC(=O)c2ccc(OC(C)C)c(OC)c2)c(C(=O)N(C)C)cc1OC.
What is the InChIKey of 4,5-dimethoxy-2-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-N,N-dimethylbenzamide?
The InChIKey is ZQJCOLCZLYUQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O6/c1-13(2)30-17-9-8-14(10-18(17)27-5)21(25)23-16-12-20(29-7)19(28-6)11-15(16)22(26)24(3)4/h8-13H,1-7H3,(H,23,25).
What are the key properties of 4,5-dimethoxy-2-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-N,N-dimethylbenzamide?
4,5-dimethoxy-2-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-N,N-dimethylbenzamide has a molecular weight of 416.47 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-2-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 46404987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).