4-hydroxy-N-[(2S,3R)-2-hydroxy-4-[(4-hydroxybenzoyl)amino]-3-propan-2-yloxybutyl]benzamide

C21H26N2O6 — CID 129207299

IUPAC4-hydroxy-N-[(2S,3R)-2-hydroxy-4-[(4-hydroxybenzoyl)amino]-3-propan-2-yloxybutyl]benzamide
SMILESCC(C)O[C@H](CNC(=O)c1ccc(O)cc1)[C@@H](O)CNC(=O)c1ccc(O)cc1
InChIInChI=1S/C21H26N2O6/c1-13(2)29-19(12-23-21(28)15-5-9-17(25)10-6-15)18(26)11-22-20(27)14-3-7-16(24)8-4-14/h3-10,13,18-19,24-26H,11-12H2,1-2H3,(H,22,27)(H,23,28)/t18-,19+/m0/s1
InChIKeyKYLVFASERLGTAX-RBUKOAKNSA-N
MW402.45 g/mol
LogP1.41
Rot. Bonds9

About 4-hydroxy-N-[(2S,3R)-2-hydroxy-4-[(4-hydroxybenzoyl)amino]-3-propan-2-yloxybutyl]benzamide

4-hydroxy-N-[(2S,3R)-2-hydroxy-4-[(4-hydroxybenzoyl)amino]-3-propan-2-yloxybutyl]benzamide (PubChem CID 129207299) has the molecular formula C21H26N2O6 and a molecular weight of 402.45 g/mol. Its IUPAC name is 4-hydroxy-N-[(2S,3R)-2-hydroxy-4-[(4-hydroxybenzoyl)amino]-3-propan-2-yloxybutyl]benzamide.

Molecular Properties

Compound Name4-hydroxy-N-[(2S,3R)-2-hydroxy-4-[(4-hydroxybenzoyl)amino]-3-propan-2-yloxybutyl]benzamide
PubChem CID129207299
Molecular FormulaC21H26N2O6
Molecular Weight402.45 g/mol
Exact Mass402.18
IUPAC Name4-hydroxy-N-[(2S,3R)-2-hydroxy-4-[(4-hydroxybenzoyl)amino]-3-propan-2-yloxybutyl]benzamide
SMILESCC(C)O[C@H](CNC(=O)c1ccc(O)cc1)[C@@H](O)CNC(=O)c1ccc(O)cc1
InChIInChI=1S/C21H26N2O6/c1-13(2)29-19(12-23-21(28)15-5-9-17(25)10-6-15)18(26)11-22-20(27)14-3-7-16(24)8-4-14/h3-10,13,18-19,24-26H,11-12H2,1-2H3,(H,22,27)(H,23,28)/t18-,19+/m0/s1
InChIKeyKYLVFASERLGTAX-RBUKOAKNSA-N
XLogP1.41
TPSA128.12 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 51.41
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

4-hydroxy-N-[2-hydroxy-4-[(4-hydroxybenzoyl)amino]-3-(1-hydroxyethoxy)butyl]benzamide
CID 134466770
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-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-N-[(2S)-2-hydroxypropyl]benzene-1,4-dicarboxamide
CID 83059637
4-propan-2-yloxy-N-[2-[(4-propan-2-yloxybenzoyl)amino]ethyl]benzamide
CID 4952415
4-amino-N-(2-aminopropyl)benzamide
CID 130891998

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(2S,3R)-2-hydroxy-4-[(4-hydroxybenzoyl)amino]-3-propan-2-yloxybutyl]benzamide?
The IUPAC name of 4-hydroxy-N-[(2S,3R)-2-hydroxy-4-[(4-hydroxybenzoyl)amino]-3-propan-2-yloxybutyl]benzamide (CID 129207299) is 4-hydroxy-N-[(2S,3R)-2-hydroxy-4-[(4-hydroxybenzoyl)amino]-3-propan-2-yloxybutyl]benzamide.
What is the SMILES notation for 4-hydroxy-N-[(2S,3R)-2-hydroxy-4-[(4-hydroxybenzoyl)amino]-3-propan-2-yloxybutyl]benzamide?
The canonical SMILES for 4-hydroxy-N-[(2S,3R)-2-hydroxy-4-[(4-hydroxybenzoyl)amino]-3-propan-2-yloxybutyl]benzamide is CC(C)O[C@H](CNC(=O)c1ccc(O)cc1)[C@@H](O)CNC(=O)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxy-N-[(2S,3R)-2-hydroxy-4-[(4-hydroxybenzoyl)amino]-3-propan-2-yloxybutyl]benzamide?
The InChIKey is KYLVFASERLGTAX-RBUKOAKNSA-N. The full InChI is InChI=1S/C21H26N2O6/c1-13(2)29-19(12-23-21(28)15-5-9-17(25)10-6-15)18(26)11-22-20(27)14-3-7-16(24)8-4-14/h3-10,13,18-19,24-26H,11-12H2,1-2H3,(H,22,27)(H,23,28)/t18-,19+/m0/s1.
What are the key properties of 4-hydroxy-N-[(2S,3R)-2-hydroxy-4-[(4-hydroxybenzoyl)amino]-3-propan-2-yloxybutyl]benzamide?
4-hydroxy-N-[(2S,3R)-2-hydroxy-4-[(4-hydroxybenzoyl)amino]-3-propan-2-yloxybutyl]benzamide has a molecular weight of 402.45 g/mol, XLogP of 1.41, 9 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(2S,3R)-2-hydroxy-4-[(4-hydroxybenzoyl)amino]-3-propan-2-yloxybutyl]benzamide is sourced from PubChem (CID 129207299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).