2-[3-[(3-ethoxybenzoyl)amino]-4-hydroxyphenyl]acetic acid

C17H17NO5 — CID 108741732

IUPAC2-[3-[(3-ethoxybenzoyl)amino]-4-hydroxyphenyl]acetic acid
SMILESCCOc1cccc(C(=O)Nc2cc(CC(=O)O)ccc2O)c1
InChIInChI=1S/C17H17NO5/c1-2-23-13-5-3-4-12(10-13)17(22)18-14-8-11(9-16(20)21)6-7-15(14)19/h3-8,10,19H,2,9H2,1H3,(H,18,22)(H,20,21)
InChIKeyDGAIMXIMADPNBM-UHFFFAOYSA-N
MW315.33 g/mol
LogP2.67
Rot. Bonds6

About 2-[3-[(3-ethoxybenzoyl)amino]-4-hydroxyphenyl]acetic acid

2-[3-[(3-ethoxybenzoyl)amino]-4-hydroxyphenyl]acetic acid (PubChem CID 108741732) has the molecular formula C17H17NO5 and a molecular weight of 315.33 g/mol. Its IUPAC name is 2-[3-[(3-ethoxybenzoyl)amino]-4-hydroxyphenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[(3-ethoxybenzoyl)amino]-4-hydroxyphenyl]acetic acid
PubChem CID108741732
Molecular FormulaC17H17NO5
Molecular Weight315.33 g/mol
Exact Mass315.11
IUPAC Name2-[3-[(3-ethoxybenzoyl)amino]-4-hydroxyphenyl]acetic acid
SMILESCCOc1cccc(C(=O)Nc2cc(CC(=O)O)ccc2O)c1
InChIInChI=1S/C17H17NO5/c1-2-23-13-5-3-4-12(10-13)17(22)18-14-8-11(9-16(20)21)6-7-15(14)19/h3-8,10,19H,2,9H2,1H3,(H,18,22)(H,20,21)
InChIKeyDGAIMXIMADPNBM-UHFFFAOYSA-N
XLogP2.67
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-tert-butyl-2-hydroxyphenyl)-3-ethoxybenzamide
CID 29262316
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]phenyl]benzamide
CID 4958088
3-ethoxy-N-(2-hydroxy-5-nitrophenyl)benzamide
CID 17342365
2-[3-[[(E)-3-(4-ethoxyphenyl)-2-phenylprop-2-enoyl]amino]-4-hydroxyphenyl]acetic acid
CID 108764289
2-[3-[(4-hexoxybenzoyl)amino]-4-hydroxyphenyl]acetic acid
CID 108764248
2-[3-[[3-[(4,6-dimethylpyrimidin-2-yl)amino]benzoyl]amino]-4-hydroxyphenyl]acetic acid
CID 108741746
2-[4-hydroxy-3-[[4-(2-methylpropoxy)benzoyl]amino]phenyl]acetic acid
CID 108741644
3-ethoxy-N-(2-phenylmethoxyphenyl)benzamide
CID 17093571
3-ethoxy-N-(2,4,5-trichlorophenyl)benzamide
CID 790473
2-[3-[(4-tert-butylbenzoyl)amino]-4-hydroxyphenyl]acetic acid
CID 108741692
methyl 4-hydroxy-3-[(3-propoxybenzoyl)amino]benzoate
CID 100739583
3-ethoxy-N-(2-propan-2-ylphenyl)benzamide
CID 799138

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3-ethoxybenzoyl)amino]-4-hydroxyphenyl]acetic acid?
The IUPAC name of 2-[3-[(3-ethoxybenzoyl)amino]-4-hydroxyphenyl]acetic acid (CID 108741732) is 2-[3-[(3-ethoxybenzoyl)amino]-4-hydroxyphenyl]acetic acid.
What is the SMILES notation for 2-[3-[(3-ethoxybenzoyl)amino]-4-hydroxyphenyl]acetic acid?
The canonical SMILES for 2-[3-[(3-ethoxybenzoyl)amino]-4-hydroxyphenyl]acetic acid is CCOc1cccc(C(=O)Nc2cc(CC(=O)O)ccc2O)c1.
What is the InChIKey of 2-[3-[(3-ethoxybenzoyl)amino]-4-hydroxyphenyl]acetic acid?
The InChIKey is DGAIMXIMADPNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO5/c1-2-23-13-5-3-4-12(10-13)17(22)18-14-8-11(9-16(20)21)6-7-15(14)19/h3-8,10,19H,2,9H2,1H3,(H,18,22)(H,20,21).
What are the key properties of 2-[3-[(3-ethoxybenzoyl)amino]-4-hydroxyphenyl]acetic acid?
2-[3-[(3-ethoxybenzoyl)amino]-4-hydroxyphenyl]acetic acid has a molecular weight of 315.33 g/mol, XLogP of 2.67, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3-ethoxybenzoyl)amino]-4-hydroxyphenyl]acetic acid is sourced from PubChem (CID 108741732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).