N-[4-[4-[(4-butylphenyl)methoxy]naphthalen-1-yl]-1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide

C28H35NO4 — CID 162656277

IUPACN-[4-[4-[(4-butylphenyl)methoxy]naphthalen-1-yl]-1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
SMILESCCCCc1ccc(COc2ccc(CCC(CO)(CO)NC(C)=O)c3ccccc23)cc1
InChIInChI=1S/C28H35NO4/c1-3-4-7-22-10-12-23(13-11-22)18-33-27-15-14-24(25-8-5-6-9-26(25)27)16-17-28(19-30,20-31)29-21(2)32/h5-6,8-15,30-31H,3-4,7,16-20H2,1-2H3,(H,29,32)
InChIKeyWHSUVSMBHYBTNB-UHFFFAOYSA-N
MW449.59 g/mol
LogP4.55
Rot. Bonds12

About N-[4-[4-[(4-butylphenyl)methoxy]naphthalen-1-yl]-1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide

N-[4-[4-[(4-butylphenyl)methoxy]naphthalen-1-yl]-1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide (PubChem CID 162656277) has the molecular formula C28H35NO4 and a molecular weight of 449.59 g/mol. Its IUPAC name is N-[4-[4-[(4-butylphenyl)methoxy]naphthalen-1-yl]-1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[4-[(4-butylphenyl)methoxy]naphthalen-1-yl]-1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
PubChem CID162656277
Molecular FormulaC28H35NO4
Molecular Weight449.59 g/mol
Exact Mass449.26
IUPAC NameN-[4-[4-[(4-butylphenyl)methoxy]naphthalen-1-yl]-1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
SMILESCCCCc1ccc(COc2ccc(CCC(CO)(CO)NC(C)=O)c3ccccc23)cc1
InChIInChI=1S/C28H35NO4/c1-3-4-7-22-10-12-23(13-11-22)18-33-27-15-14-24(25-8-5-6-9-26(25)27)16-17-28(19-30,20-31)29-21(2)32/h5-6,8-15,30-31H,3-4,7,16-20H2,1-2H3,(H,29,32)
InChIKeyWHSUVSMBHYBTNB-UHFFFAOYSA-N
XLogP4.55
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.59
LogP ≤ 54.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(4-butylphenyl)methoxy]naphthalen-1-yl]-1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide?
The IUPAC name of N-[4-[4-[(4-butylphenyl)methoxy]naphthalen-1-yl]-1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide (CID 162656277) is N-[4-[4-[(4-butylphenyl)methoxy]naphthalen-1-yl]-1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide.
What is the SMILES notation for N-[4-[4-[(4-butylphenyl)methoxy]naphthalen-1-yl]-1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide?
The canonical SMILES for N-[4-[4-[(4-butylphenyl)methoxy]naphthalen-1-yl]-1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide is CCCCc1ccc(COc2ccc(CCC(CO)(CO)NC(C)=O)c3ccccc23)cc1.
What is the InChIKey of N-[4-[4-[(4-butylphenyl)methoxy]naphthalen-1-yl]-1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide?
The InChIKey is WHSUVSMBHYBTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35NO4/c1-3-4-7-22-10-12-23(13-11-22)18-33-27-15-14-24(25-8-5-6-9-26(25)27)16-17-28(19-30,20-31)29-21(2)32/h5-6,8-15,30-31H,3-4,7,16-20H2,1-2H3,(H,29,32).
What are the key properties of N-[4-[4-[(4-butylphenyl)methoxy]naphthalen-1-yl]-1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide?
N-[4-[4-[(4-butylphenyl)methoxy]naphthalen-1-yl]-1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide has a molecular weight of 449.59 g/mol, XLogP of 4.55, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[(4-butylphenyl)methoxy]naphthalen-1-yl]-1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide is sourced from PubChem (CID 162656277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).