2-[(2-ethoxybenzoyl)amino]-2-ethylbutanoic acid

C15H21NO4 — CID 79806934

IUPAC2-[(2-ethoxybenzoyl)amino]-2-ethylbutanoic acid
SMILESCCOc1ccccc1C(=O)NC(CC)(CC)C(=O)O
InChIInChI=1S/C15H21NO4/c1-4-15(5-2,14(18)19)16-13(17)11-9-7-8-10-12(11)20-6-3/h7-10H,4-6H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyANMRVGUXIOCVEL-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.46
Rot. Bonds7

About 2-[(2-ethoxybenzoyl)amino]-2-ethylbutanoic acid

2-[(2-ethoxybenzoyl)amino]-2-ethylbutanoic acid (PubChem CID 79806934) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[(2-ethoxybenzoyl)amino]-2-ethylbutanoic acid.

Molecular Properties

Compound Name2-[(2-ethoxybenzoyl)amino]-2-ethylbutanoic acid
PubChem CID79806934
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-[(2-ethoxybenzoyl)amino]-2-ethylbutanoic acid
SMILESCCOc1ccccc1C(=O)NC(CC)(CC)C(=O)O
InChIInChI=1S/C15H21NO4/c1-4-15(5-2,14(18)19)16-13(17)11-9-7-8-10-12(11)20-6-3/h7-10H,4-6H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyANMRVGUXIOCVEL-UHFFFAOYSA-N
XLogP2.46
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-[(2-prop-2-enoxybenzoyl)amino]butanoic acid
CID 79813929
N-(3-carbamothioylpentan-3-yl)-2-ethoxybenzamide
CID 61121162
N-(2-cyanopropan-2-yl)-2-ethoxybenzamide
CID 54904382
N-(2-anilino-1,1,1,3,3,3-hexafluoropropan-2-yl)-2-ethoxybenzamide
CID 1241502
ethane;2-ethoxy-N-methylbenzamide
CID 142472808
2-ethoxy-N-[4-[(2-ethoxybenzoyl)amino]phenyl]benzamide
CID 1011206
N-(2-amino-2-ethylbutyl)-2-ethoxybenzamide
CID 81484030
2-ethoxybenzoic acid;zinc
CID 172723273
3-[(2-ethoxybenzoyl)amino]propanoic acid
CID 665917
ethyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 4056517
2-ethoxy-N-(2-hydroxy-2-phenylpropyl)benzamide
CID 121111925
3-(2-ethoxyphenyl)-3-oxopropanoic acid
CID 170886850

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxybenzoyl)amino]-2-ethylbutanoic acid?
The IUPAC name of 2-[(2-ethoxybenzoyl)amino]-2-ethylbutanoic acid (CID 79806934) is 2-[(2-ethoxybenzoyl)amino]-2-ethylbutanoic acid.
What is the SMILES notation for 2-[(2-ethoxybenzoyl)amino]-2-ethylbutanoic acid?
The canonical SMILES for 2-[(2-ethoxybenzoyl)amino]-2-ethylbutanoic acid is CCOc1ccccc1C(=O)NC(CC)(CC)C(=O)O.
What is the InChIKey of 2-[(2-ethoxybenzoyl)amino]-2-ethylbutanoic acid?
The InChIKey is ANMRVGUXIOCVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-4-15(5-2,14(18)19)16-13(17)11-9-7-8-10-12(11)20-6-3/h7-10H,4-6H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 2-[(2-ethoxybenzoyl)amino]-2-ethylbutanoic acid?
2-[(2-ethoxybenzoyl)amino]-2-ethylbutanoic acid has a molecular weight of 279.34 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxybenzoyl)amino]-2-ethylbutanoic acid is sourced from PubChem (CID 79806934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).