4,5-dimethoxy-N,N-dimethyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide

C16H25N3O4 — CID 119719067

IUPAC4,5-dimethoxy-N,N-dimethyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide
SMILESCNCC(C)C(=O)Nc1cc(OC)c(OC)cc1C(=O)N(C)C
InChIInChI=1S/C16H25N3O4/c1-10(9-17-2)15(20)18-12-8-14(23-6)13(22-5)7-11(12)16(21)19(3)4/h7-8,10,17H,9H2,1-6H3,(H,18,20)
InChIKeyCEWCZWHNMHTHJD-UHFFFAOYSA-N
MW323.39 g/mol
LogP1.20
Rot. Bonds7

About 4,5-dimethoxy-N,N-dimethyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide

4,5-dimethoxy-N,N-dimethyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide (PubChem CID 119719067) has the molecular formula C16H25N3O4 and a molecular weight of 323.39 g/mol. Its IUPAC name is 4,5-dimethoxy-N,N-dimethyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide.

Molecular Properties

Compound Name4,5-dimethoxy-N,N-dimethyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide
PubChem CID119719067
Molecular FormulaC16H25N3O4
Molecular Weight323.39 g/mol
Exact Mass323.18
IUPAC Name4,5-dimethoxy-N,N-dimethyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide
SMILESCNCC(C)C(=O)Nc1cc(OC)c(OC)cc1C(=O)N(C)C
InChIInChI=1S/C16H25N3O4/c1-10(9-17-2)15(20)18-12-8-14(23-6)13(22-5)7-11(12)16(21)19(3)4/h7-8,10,17H,9H2,1-6H3,(H,18,20)
InChIKeyCEWCZWHNMHTHJD-UHFFFAOYSA-N
XLogP1.20
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4,5-dimethoxy-N,N-dimethyl-2-(4-methylpentanoylamino)benzamide
CID 32511429
N,N-dimethyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide
CID 79196582
methyl 4,5-dimethoxy-2-(2-methylbutanoylamino)benzoate
CID 46511325
2-[(3,5-dimethylbenzoyl)amino]-4,5-dimethoxy-N,N-dimethylbenzamide
CID 32509130
4,5-dimethoxy-2-[[(2S)-2-methylbutanoyl]amino]benzoate
CID 2221824
N-(2,4-dimethoxyphenyl)-2-methyl-3-(methylamino)propanamide
CID 79195727
4-ethoxy-N,N-dimethyl-3-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide
CID 119816573
4,5-dimethoxy-2-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-N,N-dimethylbenzamide
CID 46404987
N-(2-amino-4,5-dimethoxyphenyl)-2-methylbutanamide
CID 43549148
N-(2-acetyl-4,5-dimethoxyphenyl)-2-methylpropanamide
CID 70092647
4,5-dimethoxy-N,N-dimethyl-2-[[2-(4-methylphenyl)-2-oxoacetyl]amino]benzamide
CID 32516391
N-(2-methoxydibenzofuran-3-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119674201

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-N,N-dimethyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide?
The IUPAC name of 4,5-dimethoxy-N,N-dimethyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide (CID 119719067) is 4,5-dimethoxy-N,N-dimethyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide.
What is the SMILES notation for 4,5-dimethoxy-N,N-dimethyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide?
The canonical SMILES for 4,5-dimethoxy-N,N-dimethyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide is CNCC(C)C(=O)Nc1cc(OC)c(OC)cc1C(=O)N(C)C.
What is the InChIKey of 4,5-dimethoxy-N,N-dimethyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide?
The InChIKey is CEWCZWHNMHTHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4/c1-10(9-17-2)15(20)18-12-8-14(23-6)13(22-5)7-11(12)16(21)19(3)4/h7-8,10,17H,9H2,1-6H3,(H,18,20).
What are the key properties of 4,5-dimethoxy-N,N-dimethyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide?
4,5-dimethoxy-N,N-dimethyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide has a molecular weight of 323.39 g/mol, XLogP of 1.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-N,N-dimethyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide is sourced from PubChem (CID 119719067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).