N-butan-2-yl-2-(2,5-dimethoxyphenyl)-2-oxoacetamide

C14H19NO4 — CID 112510921

IUPACN-butan-2-yl-2-(2,5-dimethoxyphenyl)-2-oxoacetamide
SMILESCCC(C)NC(=O)C(=O)c1cc(OC)ccc1OC
InChIInChI=1S/C14H19NO4/c1-5-9(2)15-14(17)13(16)11-8-10(18-3)6-7-12(11)19-4/h6-9H,5H2,1-4H3,(H,15,17)
InChIKeyZBNPRXQOFOVNBG-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.80
Rot. Bonds6

About N-butan-2-yl-2-(2,5-dimethoxyphenyl)-2-oxoacetamide

N-butan-2-yl-2-(2,5-dimethoxyphenyl)-2-oxoacetamide (PubChem CID 112510921) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-butan-2-yl-2-(2,5-dimethoxyphenyl)-2-oxoacetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(2,5-dimethoxyphenyl)-2-oxoacetamide
PubChem CID112510921
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC NameN-butan-2-yl-2-(2,5-dimethoxyphenyl)-2-oxoacetamide
SMILESCCC(C)NC(=O)C(=O)c1cc(OC)ccc1OC
InChIInChI=1S/C14H19NO4/c1-5-9(2)15-14(17)13(16)11-8-10(18-3)6-7-12(11)19-4/h6-9H,5H2,1-4H3,(H,15,17)
InChIKeyZBNPRXQOFOVNBG-UHFFFAOYSA-N
XLogP1.80
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-butan-2-yl]-4-(2,5-dimethoxybenzoyl)benzamide
CID 1362819
2-[(2,5-dimethoxybenzoyl)amino]butanoic acid
CID 43387399
N'-butan-2-yl-N-(2,5-dimethoxyphenyl)propanediamide
CID 108941866
(2S)-2-[(2,5-dimethoxybenzoyl)amino]-3-methylbutanoic acid
CID 61137607
1-butan-2-yl-3-[1-(2,4-dimethoxyphenyl)ethyl]urea
CID 47216355
N-[(2S)-butan-2-yl]-N'-[(1R)-1-(4-methoxyphenyl)ethyl]oxamide
CID 124605637
2-chloro-1-(2,5-dimethoxyphenyl)butan-1-one
CID 82254816
N-[(2S)-butan-2-yl]-5-chloro-2-methoxybenzamide
CID 848311
butan-2-yl 2,5-dimethoxybenzenecarboperoxoate
CID 173265640
N-butan-2-yl-2-(2,4-dimethoxyanilino)propanamide
CID 43113547
2-(2-bromo-4-methoxyphenoxy)-N-butan-2-ylpropanamide
CID 104704703
1-(2,5-dimethoxyphenyl)-2-ethoxybutan-1-one
CID 116707667

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(2,5-dimethoxyphenyl)-2-oxoacetamide?
The IUPAC name of N-butan-2-yl-2-(2,5-dimethoxyphenyl)-2-oxoacetamide (CID 112510921) is N-butan-2-yl-2-(2,5-dimethoxyphenyl)-2-oxoacetamide.
What is the SMILES notation for N-butan-2-yl-2-(2,5-dimethoxyphenyl)-2-oxoacetamide?
The canonical SMILES for N-butan-2-yl-2-(2,5-dimethoxyphenyl)-2-oxoacetamide is CCC(C)NC(=O)C(=O)c1cc(OC)ccc1OC.
What is the InChIKey of N-butan-2-yl-2-(2,5-dimethoxyphenyl)-2-oxoacetamide?
The InChIKey is ZBNPRXQOFOVNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-5-9(2)15-14(17)13(16)11-8-10(18-3)6-7-12(11)19-4/h6-9H,5H2,1-4H3,(H,15,17).
What are the key properties of N-butan-2-yl-2-(2,5-dimethoxyphenyl)-2-oxoacetamide?
N-butan-2-yl-2-(2,5-dimethoxyphenyl)-2-oxoacetamide has a molecular weight of 265.31 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(2,5-dimethoxyphenyl)-2-oxoacetamide is sourced from PubChem (CID 112510921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).