2-hydroxy-5-[1-hydroxy-2-(4-phenylmethoxybutan-2-ylamino)ethyl]benzamide

C20H26N2O4 — CID 13116906

IUPAC2-hydroxy-5-[1-hydroxy-2-(4-phenylmethoxybutan-2-ylamino)ethyl]benzamide
SMILESCC(CCOCc1ccccc1)NCC(O)c1ccc(O)c(C(N)=O)c1
InChIInChI=1S/C20H26N2O4/c1-14(9-10-26-13-15-5-3-2-4-6-15)22-12-19(24)16-7-8-18(23)17(11-16)20(21)25/h2-8,11,14,19,22-24H,9-10,12-13H2,1H3,(H2,21,25)
InChIKeyDVRQKGZAFXPLJJ-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.11
Rot. Bonds10

About 2-hydroxy-5-[1-hydroxy-2-(4-phenylmethoxybutan-2-ylamino)ethyl]benzamide

2-hydroxy-5-[1-hydroxy-2-(4-phenylmethoxybutan-2-ylamino)ethyl]benzamide (PubChem CID 13116906) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-hydroxy-5-[1-hydroxy-2-(4-phenylmethoxybutan-2-ylamino)ethyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-5-[1-hydroxy-2-(4-phenylmethoxybutan-2-ylamino)ethyl]benzamide
PubChem CID13116906
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Name2-hydroxy-5-[1-hydroxy-2-(4-phenylmethoxybutan-2-ylamino)ethyl]benzamide
SMILESCC(CCOCc1ccccc1)NCC(O)c1ccc(O)c(C(N)=O)c1
InChIInChI=1S/C20H26N2O4/c1-14(9-10-26-13-15-5-3-2-4-6-15)22-12-19(24)16-7-8-18(23)17(11-16)20(21)25/h2-8,11,14,19,22-24H,9-10,12-13H2,1H3,(H2,21,25)
InChIKeyDVRQKGZAFXPLJJ-UHFFFAOYSA-N
XLogP2.11
TPSA104.81 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-5-[1-hydroxy-2-[4-(pyrimidin-5-ylmethoxy)butan-2-ylamino]ethyl]benzamide
CID 20505301
5-[2-(4-anilinobutan-2-ylamino)-1-hydroxyethyl]-2-hydroxybenzamide
CID 54443827
methyl 4-[3-[[2-(3-carbamoyl-4-hydroxyphenyl)-2-hydroxyethyl]amino]butyl]benzoate
CID 12814758
5-[2-[4-(4-fluorophenyl)butan-2-ylamino]-1-hydroxyethyl]-2-hydroxybenzamide
CID 12814711
5-[2-(5,5-dimethoxyheptan-2-ylamino)-1-hydroxyethyl]-2-hydroxybenzamide;hydrochloride
CID 21389510
2-(2-ethoxyethoxy)-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzamide;hydrochloride
CID 21488915
5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]-2-(3-methoxypropoxy)benzamide
CID 21488926
5-[2-[4-(4-chloro-N-methylanilino)butan-2-ylamino]-1-hydroxyethyl]-2-hydroxybenzamide
CID 54053048
2-(2,3-dihydroxypropoxy)-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzamide
CID 21488921
5-[(1R)-2-[[(2R)-1-[3-[2-(1-adamantyl)ethoxy]phenyl]propan-2-yl]amino]-1-hydroxyethyl]-2-hydroxybenzamide
CID 67520606
[(2S)-2-(3-carbamoyl-4-hydroxyphenyl)-2-hydroxyethyl]-[(2S)-4-phenylbutan-2-yl]azanium
CID 41097888
2-(aminomethyl)-4-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]phenol
CID 151436293

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[1-hydroxy-2-(4-phenylmethoxybutan-2-ylamino)ethyl]benzamide?
The IUPAC name of 2-hydroxy-5-[1-hydroxy-2-(4-phenylmethoxybutan-2-ylamino)ethyl]benzamide (CID 13116906) is 2-hydroxy-5-[1-hydroxy-2-(4-phenylmethoxybutan-2-ylamino)ethyl]benzamide.
What is the SMILES notation for 2-hydroxy-5-[1-hydroxy-2-(4-phenylmethoxybutan-2-ylamino)ethyl]benzamide?
The canonical SMILES for 2-hydroxy-5-[1-hydroxy-2-(4-phenylmethoxybutan-2-ylamino)ethyl]benzamide is CC(CCOCc1ccccc1)NCC(O)c1ccc(O)c(C(N)=O)c1.
What is the InChIKey of 2-hydroxy-5-[1-hydroxy-2-(4-phenylmethoxybutan-2-ylamino)ethyl]benzamide?
The InChIKey is DVRQKGZAFXPLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-14(9-10-26-13-15-5-3-2-4-6-15)22-12-19(24)16-7-8-18(23)17(11-16)20(21)25/h2-8,11,14,19,22-24H,9-10,12-13H2,1H3,(H2,21,25).
What are the key properties of 2-hydroxy-5-[1-hydroxy-2-(4-phenylmethoxybutan-2-ylamino)ethyl]benzamide?
2-hydroxy-5-[1-hydroxy-2-(4-phenylmethoxybutan-2-ylamino)ethyl]benzamide has a molecular weight of 358.44 g/mol, XLogP of 2.11, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[1-hydroxy-2-(4-phenylmethoxybutan-2-ylamino)ethyl]benzamide is sourced from PubChem (CID 13116906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).