2-[(2,4-dimethoxybenzoyl)amino]-2-ethylbutanoic acid

C15H21NO5 — CID 79814147

IUPAC2-[(2,4-dimethoxybenzoyl)amino]-2-ethylbutanoic acid
SMILESCCC(CC)(NC(=O)c1ccc(OC)cc1OC)C(=O)O
InChIInChI=1S/C15H21NO5/c1-5-15(6-2,14(18)19)16-13(17)11-8-7-10(20-3)9-12(11)21-4/h7-9H,5-6H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyDLTYIAWCJJELHD-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.08
Rot. Bonds7

About 2-[(2,4-dimethoxybenzoyl)amino]-2-ethylbutanoic acid

2-[(2,4-dimethoxybenzoyl)amino]-2-ethylbutanoic acid (PubChem CID 79814147) has the molecular formula C15H21NO5 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-[(2,4-dimethoxybenzoyl)amino]-2-ethylbutanoic acid.

Molecular Properties

Compound Name2-[(2,4-dimethoxybenzoyl)amino]-2-ethylbutanoic acid
PubChem CID79814147
Molecular FormulaC15H21NO5
Molecular Weight295.34 g/mol
Exact Mass295.14
IUPAC Name2-[(2,4-dimethoxybenzoyl)amino]-2-ethylbutanoic acid
SMILESCCC(CC)(NC(=O)c1ccc(OC)cc1OC)C(=O)O
InChIInChI=1S/C15H21NO5/c1-5-15(6-2,14(18)19)16-13(17)11-8-7-10(20-3)9-12(11)21-4/h7-9H,5-6H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyDLTYIAWCJJELHD-UHFFFAOYSA-N
XLogP2.08
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-carbamothioylpentan-3-yl)-2,4-dimethoxybenzamide
CID 61120433
2-[(2,4-dimethoxybenzoyl)amino]-2-methylpentanoic acid
CID 43618581
2-ethyl-2-[(2-methoxy-5-methylbenzoyl)amino]butanoic acid
CID 79806703
N-(1-chloro-3-methylpentan-3-yl)-2,4-dimethoxybenzamide
CID 106168512
N-(2-hydroxy-2-methylbutyl)-2,4-dimethoxybenzamide
CID 65114811
N-(3-hydroxy-2-methylbutan-2-yl)-2,4-dimethoxybenzamide
CID 115884461
2-[(2,4-dimethoxybenzoyl)amino]butanoic acid
CID 43387212
2-ethyl-2-[[2-(4-methoxy-2-methylphenyl)acetyl]amino]butanoic acid
CID 54464746
1-(2,4-dimethoxyphenyl)-2-ethyl-2-hydroxybutan-1-one
CID 103446903
2,4-dimethoxybenzoic acid
CID 67450326
2,4-dimethoxybenzoic acid
CID 7052
2-[(3-bromo-4-methoxybenzoyl)amino]-2-ethylbutanoic acid
CID 79807070

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethoxybenzoyl)amino]-2-ethylbutanoic acid?
The IUPAC name of 2-[(2,4-dimethoxybenzoyl)amino]-2-ethylbutanoic acid (CID 79814147) is 2-[(2,4-dimethoxybenzoyl)amino]-2-ethylbutanoic acid.
What is the SMILES notation for 2-[(2,4-dimethoxybenzoyl)amino]-2-ethylbutanoic acid?
The canonical SMILES for 2-[(2,4-dimethoxybenzoyl)amino]-2-ethylbutanoic acid is CCC(CC)(NC(=O)c1ccc(OC)cc1OC)C(=O)O.
What is the InChIKey of 2-[(2,4-dimethoxybenzoyl)amino]-2-ethylbutanoic acid?
The InChIKey is DLTYIAWCJJELHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-5-15(6-2,14(18)19)16-13(17)11-8-7-10(20-3)9-12(11)21-4/h7-9H,5-6H2,1-4H3,(H,16,17)(H,18,19).
What are the key properties of 2-[(2,4-dimethoxybenzoyl)amino]-2-ethylbutanoic acid?
2-[(2,4-dimethoxybenzoyl)amino]-2-ethylbutanoic acid has a molecular weight of 295.34 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethoxybenzoyl)amino]-2-ethylbutanoic acid is sourced from PubChem (CID 79814147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).