N-[1-hydroxy-2-(hydroxymethyl)-4-(4-hydroxynaphthalen-1-yl)butan-2-yl]acetamide

C17H21NO4 — CID 162643177

IUPACN-[1-hydroxy-2-(hydroxymethyl)-4-(4-hydroxynaphthalen-1-yl)butan-2-yl]acetamide
SMILESCC(=O)NC(CO)(CO)CCc1ccc(O)c2ccccc12
InChIInChI=1S/C17H21NO4/c1-12(21)18-17(10-19,11-20)9-8-13-6-7-16(22)15-5-3-2-4-14(13)15/h2-7,19-20,22H,8-11H2,1H3,(H,18,21)
InChIKeyQXIRQVGUMZFNIF-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.34
Rot. Bonds6

About N-[1-hydroxy-2-(hydroxymethyl)-4-(4-hydroxynaphthalen-1-yl)butan-2-yl]acetamide

N-[1-hydroxy-2-(hydroxymethyl)-4-(4-hydroxynaphthalen-1-yl)butan-2-yl]acetamide (PubChem CID 162643177) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-[1-hydroxy-2-(hydroxymethyl)-4-(4-hydroxynaphthalen-1-yl)butan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-hydroxy-2-(hydroxymethyl)-4-(4-hydroxynaphthalen-1-yl)butan-2-yl]acetamide
PubChem CID162643177
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC NameN-[1-hydroxy-2-(hydroxymethyl)-4-(4-hydroxynaphthalen-1-yl)butan-2-yl]acetamide
SMILESCC(=O)NC(CO)(CO)CCc1ccc(O)c2ccccc12
InChIInChI=1S/C17H21NO4/c1-12(21)18-17(10-19,11-20)9-8-13-6-7-16(22)15-5-3-2-4-14(13)15/h2-7,19-20,22H,8-11H2,1H3,(H,18,21)
InChIKeyQXIRQVGUMZFNIF-UHFFFAOYSA-N
XLogP1.34
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-hydroxy-2-(hydroxymethyl)-4-(4-hydroxynaphthalen-1-yl)butan-2-yl]acetamide?
The IUPAC name of N-[1-hydroxy-2-(hydroxymethyl)-4-(4-hydroxynaphthalen-1-yl)butan-2-yl]acetamide (CID 162643177) is N-[1-hydroxy-2-(hydroxymethyl)-4-(4-hydroxynaphthalen-1-yl)butan-2-yl]acetamide.
What is the SMILES notation for N-[1-hydroxy-2-(hydroxymethyl)-4-(4-hydroxynaphthalen-1-yl)butan-2-yl]acetamide?
The canonical SMILES for N-[1-hydroxy-2-(hydroxymethyl)-4-(4-hydroxynaphthalen-1-yl)butan-2-yl]acetamide is CC(=O)NC(CO)(CO)CCc1ccc(O)c2ccccc12.
What is the InChIKey of N-[1-hydroxy-2-(hydroxymethyl)-4-(4-hydroxynaphthalen-1-yl)butan-2-yl]acetamide?
The InChIKey is QXIRQVGUMZFNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4/c1-12(21)18-17(10-19,11-20)9-8-13-6-7-16(22)15-5-3-2-4-14(13)15/h2-7,19-20,22H,8-11H2,1H3,(H,18,21).
What are the key properties of N-[1-hydroxy-2-(hydroxymethyl)-4-(4-hydroxynaphthalen-1-yl)butan-2-yl]acetamide?
N-[1-hydroxy-2-(hydroxymethyl)-4-(4-hydroxynaphthalen-1-yl)butan-2-yl]acetamide has a molecular weight of 303.36 g/mol, XLogP of 1.34, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-hydroxy-2-(hydroxymethyl)-4-(4-hydroxynaphthalen-1-yl)butan-2-yl]acetamide is sourced from PubChem (CID 162643177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).