4,5-dimethoxy-N,N-dimethyl-2-(4-methylpentanoylamino)benzamide

C17H26N2O4 — CID 32511429

IUPAC4,5-dimethoxy-N,N-dimethyl-2-(4-methylpentanoylamino)benzamide
SMILESCOc1cc(NC(=O)CCC(C)C)c(C(=O)N(C)C)cc1OC
InChIInChI=1S/C17H26N2O4/c1-11(2)7-8-16(20)18-13-10-15(23-6)14(22-5)9-12(13)17(21)19(3)4/h9-11H,7-8H2,1-6H3,(H,18,20)
InChIKeyPAQRHENXMOWDQX-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.78
Rot. Bonds7

About 4,5-dimethoxy-N,N-dimethyl-2-(4-methylpentanoylamino)benzamide

4,5-dimethoxy-N,N-dimethyl-2-(4-methylpentanoylamino)benzamide (PubChem CID 32511429) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is 4,5-dimethoxy-N,N-dimethyl-2-(4-methylpentanoylamino)benzamide.

Molecular Properties

Compound Name4,5-dimethoxy-N,N-dimethyl-2-(4-methylpentanoylamino)benzamide
PubChem CID32511429
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Name4,5-dimethoxy-N,N-dimethyl-2-(4-methylpentanoylamino)benzamide
SMILESCOc1cc(NC(=O)CCC(C)C)c(C(=O)N(C)C)cc1OC
InChIInChI=1S/C17H26N2O4/c1-11(2)7-8-16(20)18-13-10-15(23-6)14(22-5)9-12(13)17(21)19(3)4/h9-11H,7-8H2,1-6H3,(H,18,20)
InChIKeyPAQRHENXMOWDQX-UHFFFAOYSA-N
XLogP2.78
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-dimethoxy-N,N-dimethyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide
CID 119719067
N-(2-chloro-4,5-dimethoxyphenyl)-4-methylpentanamide
CID 43040630
2-[(3,5-dimethylbenzoyl)amino]-4,5-dimethoxy-N,N-dimethylbenzamide
CID 32509130
4,5-dimethoxy-N,N-dimethyl-2-[4-(4-nitroanilino)butanoylamino]benzamide
CID 55627006
4,5-dimethoxy-2-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-N,N-dimethylbenzamide
CID 46404987
4,5-dimethoxy-2-[3-(2-methylpropoxy)propanoylamino]benzamide
CID 51098543
4,5-dimethoxy-N,N-dimethyl-2-[[2-(2-oxoazepan-1-yl)acetyl]amino]benzamide
CID 32511449
2-[[4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxobutanoyl]amino]-4,5-dimethoxy-N,N-dimethylbenzamide
CID 56563553
2-(butanoylamino)-4,5-dimethoxybenzoate
CID 7165151
4,5-dimethoxy-N,N-dimethyl-2-[[2-(2-methylindol-1-yl)acetyl]amino]benzamide
CID 32513243
2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-4,5-dimethoxy-N,N-dimethylbenzamide
CID 32513217
4,5-dimethoxy-N,N-dimethyl-2-[[2-(4-methylphenyl)-2-oxoacetyl]amino]benzamide
CID 32516391

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-N,N-dimethyl-2-(4-methylpentanoylamino)benzamide?
The IUPAC name of 4,5-dimethoxy-N,N-dimethyl-2-(4-methylpentanoylamino)benzamide (CID 32511429) is 4,5-dimethoxy-N,N-dimethyl-2-(4-methylpentanoylamino)benzamide.
What is the SMILES notation for 4,5-dimethoxy-N,N-dimethyl-2-(4-methylpentanoylamino)benzamide?
The canonical SMILES for 4,5-dimethoxy-N,N-dimethyl-2-(4-methylpentanoylamino)benzamide is COc1cc(NC(=O)CCC(C)C)c(C(=O)N(C)C)cc1OC.
What is the InChIKey of 4,5-dimethoxy-N,N-dimethyl-2-(4-methylpentanoylamino)benzamide?
The InChIKey is PAQRHENXMOWDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-11(2)7-8-16(20)18-13-10-15(23-6)14(22-5)9-12(13)17(21)19(3)4/h9-11H,7-8H2,1-6H3,(H,18,20).
What are the key properties of 4,5-dimethoxy-N,N-dimethyl-2-(4-methylpentanoylamino)benzamide?
4,5-dimethoxy-N,N-dimethyl-2-(4-methylpentanoylamino)benzamide has a molecular weight of 322.41 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-N,N-dimethyl-2-(4-methylpentanoylamino)benzamide is sourced from PubChem (CID 32511429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).