2-(1-ethoxyethoxy)-5-[1-hydroxy-2-[4-(4-methoxyphenyl)butan-2-ylamino]ethyl]benzamide

C24H34N2O5 — CID 21488920

IUPAC2-(1-ethoxyethoxy)-5-[1-hydroxy-2-[4-(4-methoxyphenyl)butan-2-ylamino]ethyl]benzamide
SMILESCCOC(C)Oc1ccc(C(O)CNC(C)CCc2ccc(OC)cc2)cc1C(N)=O
InChIInChI=1S/C24H34N2O5/c1-5-30-17(3)31-23-13-10-19(14-21(23)24(25)28)22(27)15-26-16(2)6-7-18-8-11-20(29-4)12-9-18/h8-14,16-17,22,26-27H,5-7,15H2,1-4H3,(H2,25,28)
InChIKeyBTRWUMDEOBEDDT-UHFFFAOYSA-N
MW430.55 g/mol
LogP3.20
Rot. Bonds13

About 2-(1-ethoxyethoxy)-5-[1-hydroxy-2-[4-(4-methoxyphenyl)butan-2-ylamino]ethyl]benzamide

2-(1-ethoxyethoxy)-5-[1-hydroxy-2-[4-(4-methoxyphenyl)butan-2-ylamino]ethyl]benzamide (PubChem CID 21488920) has the molecular formula C24H34N2O5 and a molecular weight of 430.55 g/mol. Its IUPAC name is 2-(1-ethoxyethoxy)-5-[1-hydroxy-2-[4-(4-methoxyphenyl)butan-2-ylamino]ethyl]benzamide.

Molecular Properties

Compound Name2-(1-ethoxyethoxy)-5-[1-hydroxy-2-[4-(4-methoxyphenyl)butan-2-ylamino]ethyl]benzamide
PubChem CID21488920
Molecular FormulaC24H34N2O5
Molecular Weight430.55 g/mol
Exact Mass430.25
IUPAC Name2-(1-ethoxyethoxy)-5-[1-hydroxy-2-[4-(4-methoxyphenyl)butan-2-ylamino]ethyl]benzamide
SMILESCCOC(C)Oc1ccc(C(O)CNC(C)CCc2ccc(OC)cc2)cc1C(N)=O
InChIInChI=1S/C24H34N2O5/c1-5-30-17(3)31-23-13-10-19(14-21(23)24(25)28)22(27)15-26-16(2)6-7-18-8-11-20(29-4)12-9-18/h8-14,16-17,22,26-27H,5-7,15H2,1-4H3,(H2,25,28)
InChIKeyBTRWUMDEOBEDDT-UHFFFAOYSA-N
XLogP3.20
TPSA103.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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
methyl 4-[3-[[2-(3-carbamoyl-4-hydroxyphenyl)-2-hydroxyethyl]amino]butyl]benzoate
CID 12814758
2-(2,3-dihydroxypropoxy)-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzamide
CID 21488921
5-[2-[4-(4-fluorophenyl)butan-2-ylamino]-1-hydroxyethyl]-2-hydroxybenzamide
CID 12814711
1-(4-methoxyphenyl)-2-[4-(4-nitrophenyl)butan-2-ylamino]ethanol
CID 71751093
5-[2-(butan-2-ylamino)-1-hydroxyethyl]-2-(2-hydroxyethoxy)benzamide
CID 21488897
1-[4-(4-methoxyphenyl)butan-2-ylamino]pentan-2-ol
CID 115719297
5-[2-[2,2-bis(4-methoxyphenyl)ethylamino]-1-hydroxyethyl]-2-hydroxybenzamide
CID 70142955
2-[(1R)-1-hydroxy-2-[[(2R)-4-phenylbutan-2-yl]amino]ethoxy]benzamide
CID 70386564
1-(3-chlorophenyl)-2-[4-(3,4-dimethoxyphenyl)butan-2-ylamino]ethanol
CID 18996354
5-[2-(5,5-dimethoxyheptan-2-ylamino)-1-hydroxyethyl]-2-hydroxybenzamide;hydrochloride
CID 21389510

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxyethoxy)-5-[1-hydroxy-2-[4-(4-methoxyphenyl)butan-2-ylamino]ethyl]benzamide?
The IUPAC name of 2-(1-ethoxyethoxy)-5-[1-hydroxy-2-[4-(4-methoxyphenyl)butan-2-ylamino]ethyl]benzamide (CID 21488920) is 2-(1-ethoxyethoxy)-5-[1-hydroxy-2-[4-(4-methoxyphenyl)butan-2-ylamino]ethyl]benzamide.
What is the SMILES notation for 2-(1-ethoxyethoxy)-5-[1-hydroxy-2-[4-(4-methoxyphenyl)butan-2-ylamino]ethyl]benzamide?
The canonical SMILES for 2-(1-ethoxyethoxy)-5-[1-hydroxy-2-[4-(4-methoxyphenyl)butan-2-ylamino]ethyl]benzamide is CCOC(C)Oc1ccc(C(O)CNC(C)CCc2ccc(OC)cc2)cc1C(N)=O.
What is the InChIKey of 2-(1-ethoxyethoxy)-5-[1-hydroxy-2-[4-(4-methoxyphenyl)butan-2-ylamino]ethyl]benzamide?
The InChIKey is BTRWUMDEOBEDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O5/c1-5-30-17(3)31-23-13-10-19(14-21(23)24(25)28)22(27)15-26-16(2)6-7-18-8-11-20(29-4)12-9-18/h8-14,16-17,22,26-27H,5-7,15H2,1-4H3,(H2,25,28).
What are the key properties of 2-(1-ethoxyethoxy)-5-[1-hydroxy-2-[4-(4-methoxyphenyl)butan-2-ylamino]ethyl]benzamide?
2-(1-ethoxyethoxy)-5-[1-hydroxy-2-[4-(4-methoxyphenyl)butan-2-ylamino]ethyl]benzamide has a molecular weight of 430.55 g/mol, XLogP of 3.20, 13 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxyethoxy)-5-[1-hydroxy-2-[4-(4-methoxyphenyl)butan-2-ylamino]ethyl]benzamide is sourced from PubChem (CID 21488920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).