4,5-dimethoxy-2-[3-(2-methylpropoxy)propanoylamino]benzamide

C16H24N2O5 — CID 51098543

IUPAC4,5-dimethoxy-2-[3-(2-methylpropoxy)propanoylamino]benzamide
SMILESCOc1cc(NC(=O)CCOCC(C)C)c(C(N)=O)cc1OC
InChIInChI=1S/C16H24N2O5/c1-10(2)9-23-6-5-15(19)18-12-8-14(22-4)13(21-3)7-11(12)16(17)20/h7-8,10H,5-6,9H2,1-4H3,(H2,17,20)(H,18,19)
InChIKeyFLOIPWVJNDXATH-UHFFFAOYSA-N
MW324.38 g/mol
LogP1.80
Rot. Bonds9

About 4,5-dimethoxy-2-[3-(2-methylpropoxy)propanoylamino]benzamide

4,5-dimethoxy-2-[3-(2-methylpropoxy)propanoylamino]benzamide (PubChem CID 51098543) has the molecular formula C16H24N2O5 and a molecular weight of 324.38 g/mol. Its IUPAC name is 4,5-dimethoxy-2-[3-(2-methylpropoxy)propanoylamino]benzamide.

Molecular Properties

Compound Name4,5-dimethoxy-2-[3-(2-methylpropoxy)propanoylamino]benzamide
PubChem CID51098543
Molecular FormulaC16H24N2O5
Molecular Weight324.38 g/mol
Exact Mass324.17
IUPAC Name4,5-dimethoxy-2-[3-(2-methylpropoxy)propanoylamino]benzamide
SMILESCOc1cc(NC(=O)CCOCC(C)C)c(C(N)=O)cc1OC
InChIInChI=1S/C16H24N2O5/c1-10(2)9-23-6-5-15(19)18-12-8-14(22-4)13(21-3)7-11(12)16(17)20/h7-8,10H,5-6,9H2,1-4H3,(H2,17,20)(H,18,19)
InChIKeyFLOIPWVJNDXATH-UHFFFAOYSA-N
XLogP1.80
TPSA99.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-dimethoxyphenyl)-3-(2-methylpropoxy)propanamide
CID 38956787
4,5-dimethoxy-N,N-dimethyl-2-(4-methylpentanoylamino)benzamide
CID 32511429
2-[[(2S)-2-aminobutanoyl]amino]-4,5-dimethoxybenzamide
CID 119307644
N-(2-chloro-4,5-dimethoxyphenyl)-4-methylpentanamide
CID 43040630
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-(2-methylpropoxy)propanamide
CID 38976932
2-(4-aminobutanoylamino)-4,5-dimethoxybenzoic acid
CID 61157131
2-(butanoylamino)-4,5-dimethoxybenzoate
CID 7165151
2-[[2-(2,4-difluorophenoxy)acetyl]amino]-4,5-dimethoxybenzamide
CID 47085137
4-chloro-2-fluoro-N-[2-methoxy-5-[3-(2-methylpropoxy)propanoylamino]phenyl]benzamide
CID 55889049
methyl 2-[(4-amino-3-methoxybutanoyl)amino]-4,5-dimethoxybenzoate
CID 120586654
methyl 2-[(2-aminoacetyl)amino]-4,5-dimethoxybenzoate;hydrochloride
CID 119265007
2-[[2-(2,3-dichlorophenoxy)acetyl]amino]-4,5-dimethoxybenzamide
CID 122188012

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-2-[3-(2-methylpropoxy)propanoylamino]benzamide?
The IUPAC name of 4,5-dimethoxy-2-[3-(2-methylpropoxy)propanoylamino]benzamide (CID 51098543) is 4,5-dimethoxy-2-[3-(2-methylpropoxy)propanoylamino]benzamide.
What is the SMILES notation for 4,5-dimethoxy-2-[3-(2-methylpropoxy)propanoylamino]benzamide?
The canonical SMILES for 4,5-dimethoxy-2-[3-(2-methylpropoxy)propanoylamino]benzamide is COc1cc(NC(=O)CCOCC(C)C)c(C(N)=O)cc1OC.
What is the InChIKey of 4,5-dimethoxy-2-[3-(2-methylpropoxy)propanoylamino]benzamide?
The InChIKey is FLOIPWVJNDXATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5/c1-10(2)9-23-6-5-15(19)18-12-8-14(22-4)13(21-3)7-11(12)16(17)20/h7-8,10H,5-6,9H2,1-4H3,(H2,17,20)(H,18,19).
What are the key properties of 4,5-dimethoxy-2-[3-(2-methylpropoxy)propanoylamino]benzamide?
4,5-dimethoxy-2-[3-(2-methylpropoxy)propanoylamino]benzamide has a molecular weight of 324.38 g/mol, XLogP of 1.80, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-2-[3-(2-methylpropoxy)propanoylamino]benzamide is sourced from PubChem (CID 51098543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).