4-hydroxy-N-[2-hydroxy-4-[(4-hydroxybenzoyl)amino]-3-(1-hydroxyethoxy)butyl]benzamide

C20H24N2O7 — CID 134466770

IUPAC4-hydroxy-N-[2-hydroxy-4-[(4-hydroxybenzoyl)amino]-3-(1-hydroxyethoxy)butyl]benzamide
SMILESCC(O)OC(CNC(=O)c1ccc(O)cc1)C(O)CNC(=O)c1ccc(O)cc1
InChIInChI=1S/C20H24N2O7/c1-12(23)29-18(11-22-20(28)14-4-8-16(25)9-5-14)17(26)10-21-19(27)13-2-6-15(24)7-3-13/h2-9,12,17-18,23-26H,10-11H2,1H3,(H,21,27)(H,22,28)
InChIKeyIKYWWKFYXQATHL-UHFFFAOYSA-N
MW404.42 g/mol
LogP0.34
Rot. Bonds9

About 4-hydroxy-N-[2-hydroxy-4-[(4-hydroxybenzoyl)amino]-3-(1-hydroxyethoxy)butyl]benzamide

4-hydroxy-N-[2-hydroxy-4-[(4-hydroxybenzoyl)amino]-3-(1-hydroxyethoxy)butyl]benzamide (PubChem CID 134466770) has the molecular formula C20H24N2O7 and a molecular weight of 404.42 g/mol. Its IUPAC name is 4-hydroxy-N-[2-hydroxy-4-[(4-hydroxybenzoyl)amino]-3-(1-hydroxyethoxy)butyl]benzamide.

Molecular Properties

Compound Name4-hydroxy-N-[2-hydroxy-4-[(4-hydroxybenzoyl)amino]-3-(1-hydroxyethoxy)butyl]benzamide
PubChem CID134466770
Molecular FormulaC20H24N2O7
Molecular Weight404.42 g/mol
Exact Mass404.16
IUPAC Name4-hydroxy-N-[2-hydroxy-4-[(4-hydroxybenzoyl)amino]-3-(1-hydroxyethoxy)butyl]benzamide
SMILESCC(O)OC(CNC(=O)c1ccc(O)cc1)C(O)CNC(=O)c1ccc(O)cc1
InChIInChI=1S/C20H24N2O7/c1-12(23)29-18(11-22-20(28)14-4-8-16(25)9-5-14)17(26)10-21-19(27)13-2-6-15(24)7-3-13/h2-9,12,17-18,23-26H,10-11H2,1H3,(H,21,27)(H,22,28)
InChIKeyIKYWWKFYXQATHL-UHFFFAOYSA-N
XLogP0.34
TPSA148.35 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.42
LogP ≤ 50.34
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-N-[(2S,3R)-2-hydroxy-4-[(4-hydroxybenzoyl)amino]-3-propan-2-yloxybutyl]benzamide
CID 129207299
4-hydroxy-N-(3-hydroxybutyl)benzamide
CID 64912837
N-(4-amino-2-methylbutyl)-4-hydroxybenzamide
CID 66089978
N-(2-hydroxy-3-methylpentyl)-4-(methoxymethyl)benzamide
CID 71969005
4-N-[(2S)-2-hydroxypropyl]benzene-1,4-dicarboxamide
CID 83059637
4-hydroxy-N-(4-hydroxypentyl)benzamide
CID 107300182
N-(3,3-difluoro-2-hydroxypropyl)-4-propan-2-ylbenzamide
CID 103770174
ethane;N-ethyl-4-hydroxybenzamide
CID 144926309
4-ethylsulfanyl-N-(2-hydroxy-3-methylpentyl)benzamide
CID 110000219
3-[[(4-hydroxybenzoyl)amino]methyl]pentanoic acid
CID 81067009
4-(difluoromethoxy)-N-(4-hydroxy-2-methylpentyl)benzamide
CID 111447534
4-amino-N-(2-aminopropyl)benzamide
CID 130891998

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[2-hydroxy-4-[(4-hydroxybenzoyl)amino]-3-(1-hydroxyethoxy)butyl]benzamide?
The IUPAC name of 4-hydroxy-N-[2-hydroxy-4-[(4-hydroxybenzoyl)amino]-3-(1-hydroxyethoxy)butyl]benzamide (CID 134466770) is 4-hydroxy-N-[2-hydroxy-4-[(4-hydroxybenzoyl)amino]-3-(1-hydroxyethoxy)butyl]benzamide.
What is the SMILES notation for 4-hydroxy-N-[2-hydroxy-4-[(4-hydroxybenzoyl)amino]-3-(1-hydroxyethoxy)butyl]benzamide?
The canonical SMILES for 4-hydroxy-N-[2-hydroxy-4-[(4-hydroxybenzoyl)amino]-3-(1-hydroxyethoxy)butyl]benzamide is CC(O)OC(CNC(=O)c1ccc(O)cc1)C(O)CNC(=O)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxy-N-[2-hydroxy-4-[(4-hydroxybenzoyl)amino]-3-(1-hydroxyethoxy)butyl]benzamide?
The InChIKey is IKYWWKFYXQATHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O7/c1-12(23)29-18(11-22-20(28)14-4-8-16(25)9-5-14)17(26)10-21-19(27)13-2-6-15(24)7-3-13/h2-9,12,17-18,23-26H,10-11H2,1H3,(H,21,27)(H,22,28).
What are the key properties of 4-hydroxy-N-[2-hydroxy-4-[(4-hydroxybenzoyl)amino]-3-(1-hydroxyethoxy)butyl]benzamide?
4-hydroxy-N-[2-hydroxy-4-[(4-hydroxybenzoyl)amino]-3-(1-hydroxyethoxy)butyl]benzamide has a molecular weight of 404.42 g/mol, XLogP of 0.34, 9 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[2-hydroxy-4-[(4-hydroxybenzoyl)amino]-3-(1-hydroxyethoxy)butyl]benzamide is sourced from PubChem (CID 134466770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).