2-hydroxy-5-[1-hydroxy-2-[4-phenylbutan-2-yl(prop-2-enyl)amino]ethyl]benzamide

C22H28N2O3 — CID 5107886

IUPAC2-hydroxy-5-[1-hydroxy-2-[4-phenylbutan-2-yl(prop-2-enyl)amino]ethyl]benzamide
SMILESC=CCN(CC(O)c1ccc(O)c(C(N)=O)c1)C(C)CCc1ccccc1
InChIInChI=1S/C22H28N2O3/c1-3-13-24(16(2)9-10-17-7-5-4-6-8-17)15-21(26)18-11-12-20(25)19(14-18)22(23)27/h3-8,11-12,14,16,21,25-26H,1,9-10,13,15H2,2H3,(H2,23,27)
InChIKeyRGMDPZQWHAFCIO-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.03
Rot. Bonds10

About 2-hydroxy-5-[1-hydroxy-2-[4-phenylbutan-2-yl(prop-2-enyl)amino]ethyl]benzamide

2-hydroxy-5-[1-hydroxy-2-[4-phenylbutan-2-yl(prop-2-enyl)amino]ethyl]benzamide (PubChem CID 5107886) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-hydroxy-5-[1-hydroxy-2-[4-phenylbutan-2-yl(prop-2-enyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-5-[1-hydroxy-2-[4-phenylbutan-2-yl(prop-2-enyl)amino]ethyl]benzamide
PubChem CID5107886
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name2-hydroxy-5-[1-hydroxy-2-[4-phenylbutan-2-yl(prop-2-enyl)amino]ethyl]benzamide
SMILESC=CCN(CC(O)c1ccc(O)c(C(N)=O)c1)C(C)CCc1ccccc1
InChIInChI=1S/C22H28N2O3/c1-3-13-24(16(2)9-10-17-7-5-4-6-8-17)15-21(26)18-11-12-20(25)19(14-18)22(23)27/h3-8,11-12,14,16,21,25-26H,1,9-10,13,15H2,2H3,(H2,23,27)
InChIKeyRGMDPZQWHAFCIO-UHFFFAOYSA-N
XLogP3.03
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[1-hydroxy-2-[4-phenylbutan-2-yl(prop-2-enyl)amino]ethyl]benzamide?
The IUPAC name of 2-hydroxy-5-[1-hydroxy-2-[4-phenylbutan-2-yl(prop-2-enyl)amino]ethyl]benzamide (CID 5107886) is 2-hydroxy-5-[1-hydroxy-2-[4-phenylbutan-2-yl(prop-2-enyl)amino]ethyl]benzamide.
What is the SMILES notation for 2-hydroxy-5-[1-hydroxy-2-[4-phenylbutan-2-yl(prop-2-enyl)amino]ethyl]benzamide?
The canonical SMILES for 2-hydroxy-5-[1-hydroxy-2-[4-phenylbutan-2-yl(prop-2-enyl)amino]ethyl]benzamide is C=CCN(CC(O)c1ccc(O)c(C(N)=O)c1)C(C)CCc1ccccc1.
What is the InChIKey of 2-hydroxy-5-[1-hydroxy-2-[4-phenylbutan-2-yl(prop-2-enyl)amino]ethyl]benzamide?
The InChIKey is RGMDPZQWHAFCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-3-13-24(16(2)9-10-17-7-5-4-6-8-17)15-21(26)18-11-12-20(25)19(14-18)22(23)27/h3-8,11-12,14,16,21,25-26H,1,9-10,13,15H2,2H3,(H2,23,27).
What are the key properties of 2-hydroxy-5-[1-hydroxy-2-[4-phenylbutan-2-yl(prop-2-enyl)amino]ethyl]benzamide?
2-hydroxy-5-[1-hydroxy-2-[4-phenylbutan-2-yl(prop-2-enyl)amino]ethyl]benzamide has a molecular weight of 368.48 g/mol, XLogP of 3.03, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[1-hydroxy-2-[4-phenylbutan-2-yl(prop-2-enyl)amino]ethyl]benzamide is sourced from PubChem (CID 5107886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).