N-ethyl-2-[3-[2-[[2-hydroxy-2-[5-hydroxy-6-(hydroxymethyl)-2-pyridinyl]ethyl]amino]-2-methylpropyl]phenyl]-N-(2-methoxyethyl)acetamide

C25H37N3O5 — CID 11698288

IUPACN-ethyl-2-[3-[2-[[2-hydroxy-2-[5-hydroxy-6-(hydroxymethyl)-2-pyridinyl]ethyl]amino]-2-methylpropyl]phenyl]-N-(2-methoxyethyl)acetamide
SMILESCCN(CCOC)C(=O)Cc1cccc(CC(C)(C)NCC(O)c2ccc(O)c(CO)n2)c1
InChIInChI=1S/C25H37N3O5/c1-5-28(11-12-33-4)24(32)14-18-7-6-8-19(13-18)15-25(2,3)26-16-23(31)20-9-10-22(30)21(17-29)27-20/h6-10,13,23,26,29-31H,5,11-12,14-17H2,1-4H3
InChIKeyPSACURQPBBBVGF-UHFFFAOYSA-N
MW459.59 g/mol
LogP1.96
Rot. Bonds13

About N-ethyl-2-[3-[2-[[2-hydroxy-2-[5-hydroxy-6-(hydroxymethyl)-2-pyridinyl]ethyl]amino]-2-methylpropyl]phenyl]-N-(2-methoxyethyl)acetamide

N-ethyl-2-[3-[2-[[2-hydroxy-2-[5-hydroxy-6-(hydroxymethyl)-2-pyridinyl]ethyl]amino]-2-methylpropyl]phenyl]-N-(2-methoxyethyl)acetamide (PubChem CID 11698288) has the molecular formula C25H37N3O5 and a molecular weight of 459.59 g/mol. Its IUPAC name is N-ethyl-2-[3-[2-[[2-hydroxy-2-[5-hydroxy-6-(hydroxymethyl)-2-pyridinyl]ethyl]amino]-2-methylpropyl]phenyl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-[3-[2-[[2-hydroxy-2-[5-hydroxy-6-(hydroxymethyl)-2-pyridinyl]ethyl]amino]-2-methylpropyl]phenyl]-N-(2-methoxyethyl)acetamide
PubChem CID11698288
Molecular FormulaC25H37N3O5
Molecular Weight459.59 g/mol
Exact Mass459.27
IUPAC NameN-ethyl-2-[3-[2-[[2-hydroxy-2-[5-hydroxy-6-(hydroxymethyl)-2-pyridinyl]ethyl]amino]-2-methylpropyl]phenyl]-N-(2-methoxyethyl)acetamide
SMILESCCN(CCOC)C(=O)Cc1cccc(CC(C)(C)NCC(O)c2ccc(O)c(CO)n2)c1
InChIInChI=1S/C25H37N3O5/c1-5-28(11-12-33-4)24(32)14-18-7-6-8-19(13-18)15-25(2,3)26-16-23(31)20-9-10-22(30)21(17-29)27-20/h6-10,13,23,26,29-31H,5,11-12,14-17H2,1-4H3
InChIKeyPSACURQPBBBVGF-UHFFFAOYSA-N
XLogP1.96
TPSA115.15 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.59
LogP ≤ 51.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2-ethoxyphenyl)methyl]-2-[3-[2-[[2-hydroxy-2-[5-hydroxy-6-(hydroxymethyl)-2-pyridinyl]ethyl]amino]-2-methylpropyl]phenyl]acetamide
CID 11627581
2-[3-[2-[[2-hydroxy-2-[5-hydroxy-6-(hydroxymethyl)-2-pyridinyl]ethyl]amino]-2-methylpropyl]phenyl]-N-(2-morpholin-4-ylethyl)acetamide
CID 11634492
2-[3-[2-[[2-hydroxy-2-[5-hydroxy-6-(hydroxymethyl)-2-pyridinyl]ethyl]amino]-2-methylpropyl]phenyl]-N-isoquinolin-1-ylacetamide
CID 11634732
2-[3-[2-[[2-hydroxy-2-[5-hydroxy-6-(hydroxymethyl)-2-pyridinyl]ethyl]amino]-2-methylpropyl]phenyl]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]acetamide
CID 11598243
2-[3-[2-[[2-hydroxy-2-[5-hydroxy-6-(hydroxymethyl)-2-pyridinyl]ethyl]amino]-2-methylpropyl]phenyl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 11598541
2-[3-[2-[[2-hydroxy-2-[5-hydroxy-6-(hydroxymethyl)-2-pyridinyl]ethyl]amino]-2-methylpropyl]phenyl]-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone
CID 11497278
1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-[3-[2-[[2-hydroxy-2-[5-hydroxy-6-(hydroxymethyl)-2-pyridinyl]ethyl]amino]-2-methylpropyl]phenyl]ethanone
CID 11671367
N-[2-(diethylamino)ethyl]-2-[3-[2-[[2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]amino]-2-methylpropyl]phenyl]-N-methylacetamide
CID 68841486
N-[(2,6-dimethoxyphenyl)methyl]-2-[3-[2-[[(2S)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]-2-methylpropyl]phenyl]acetamide
CID 69024114
2-[3-[2-[[2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]amino]-2-methylpropyl]phenyl]-N-(3-ethoxypropyl)acetamide
CID 68840830
2-[3-[2-[[(2R)-2-[3-(carbamoylamino)-4-hydroxyphenyl]-2-hydroxyethyl]amino]-2-methylpropyl]phenyl]-N-(3-methoxypropyl)acetamide
CID 91241694
2-[3-[2-[[2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]amino]-2-methylpropyl]phenyl]-N-(2-propoxyethyl)acetamide
CID 68838640

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[3-[2-[[2-hydroxy-2-[5-hydroxy-6-(hydroxymethyl)-2-pyridinyl]ethyl]amino]-2-methylpropyl]phenyl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of N-ethyl-2-[3-[2-[[2-hydroxy-2-[5-hydroxy-6-(hydroxymethyl)-2-pyridinyl]ethyl]amino]-2-methylpropyl]phenyl]-N-(2-methoxyethyl)acetamide (CID 11698288) is N-ethyl-2-[3-[2-[[2-hydroxy-2-[5-hydroxy-6-(hydroxymethyl)-2-pyridinyl]ethyl]amino]-2-methylpropyl]phenyl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for N-ethyl-2-[3-[2-[[2-hydroxy-2-[5-hydroxy-6-(hydroxymethyl)-2-pyridinyl]ethyl]amino]-2-methylpropyl]phenyl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for N-ethyl-2-[3-[2-[[2-hydroxy-2-[5-hydroxy-6-(hydroxymethyl)-2-pyridinyl]ethyl]amino]-2-methylpropyl]phenyl]-N-(2-methoxyethyl)acetamide is CCN(CCOC)C(=O)Cc1cccc(CC(C)(C)NCC(O)c2ccc(O)c(CO)n2)c1.
What is the InChIKey of N-ethyl-2-[3-[2-[[2-hydroxy-2-[5-hydroxy-6-(hydroxymethyl)-2-pyridinyl]ethyl]amino]-2-methylpropyl]phenyl]-N-(2-methoxyethyl)acetamide?
The InChIKey is PSACURQPBBBVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3O5/c1-5-28(11-12-33-4)24(32)14-18-7-6-8-19(13-18)15-25(2,3)26-16-23(31)20-9-10-22(30)21(17-29)27-20/h6-10,13,23,26,29-31H,5,11-12,14-17H2,1-4H3.
What are the key properties of N-ethyl-2-[3-[2-[[2-hydroxy-2-[5-hydroxy-6-(hydroxymethyl)-2-pyridinyl]ethyl]amino]-2-methylpropyl]phenyl]-N-(2-methoxyethyl)acetamide?
N-ethyl-2-[3-[2-[[2-hydroxy-2-[5-hydroxy-6-(hydroxymethyl)-2-pyridinyl]ethyl]amino]-2-methylpropyl]phenyl]-N-(2-methoxyethyl)acetamide has a molecular weight of 459.59 g/mol, XLogP of 1.96, 13 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-[2-[[2-hydroxy-2-[5-hydroxy-6-(hydroxymethyl)-2-pyridinyl]ethyl]amino]-2-methylpropyl]phenyl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 11698288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).