2-[4-[(4-methyl-4-phenylpentanoyl)amino]oxan-4-yl]acetic acid

C19H27NO4 — CID 120521448

IUPAC2-[4-[(4-methyl-4-phenylpentanoyl)amino]oxan-4-yl]acetic acid
SMILESCC(C)(CCC(=O)NC1(CC(=O)O)CCOCC1)c1ccccc1
InChIInChI=1S/C19H27NO4/c1-18(2,15-6-4-3-5-7-15)9-8-16(21)20-19(14-17(22)23)10-12-24-13-11-19/h3-7H,8-14H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyZQFNBWYFLHUARI-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.88
Rot. Bonds7

About 2-[4-[(4-methyl-4-phenylpentanoyl)amino]oxan-4-yl]acetic acid

2-[4-[(4-methyl-4-phenylpentanoyl)amino]oxan-4-yl]acetic acid (PubChem CID 120521448) has the molecular formula C19H27NO4 and a molecular weight of 333.43 g/mol. Its IUPAC name is 2-[4-[(4-methyl-4-phenylpentanoyl)amino]oxan-4-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(4-methyl-4-phenylpentanoyl)amino]oxan-4-yl]acetic acid
PubChem CID120521448
Molecular FormulaC19H27NO4
Molecular Weight333.43 g/mol
Exact Mass333.19
IUPAC Name2-[4-[(4-methyl-4-phenylpentanoyl)amino]oxan-4-yl]acetic acid
SMILESCC(C)(CCC(=O)NC1(CC(=O)O)CCOCC1)c1ccccc1
InChIInChI=1S/C19H27NO4/c1-18(2,15-6-4-3-5-7-15)9-8-16(21)20-19(14-17(22)23)10-12-24-13-11-19/h3-7H,8-14H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyZQFNBWYFLHUARI-UHFFFAOYSA-N
XLogP2.88
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[4-(2-methylphenoxy)butanoylamino]oxan-4-yl]acetic acid
CID 119215592
2-[4-(3-phenylbutanoylamino)oxan-4-yl]acetic acid
CID 119214884
2-[4-[3-(4-ethylphenyl)propanoylamino]oxan-4-yl]acetic acid
CID 119215227
2-[4-[3-(2-ethoxyphenyl)propanoylamino]oxan-4-yl]acetic acid
CID 75429127
2-[4-[3-(naphthalene-2-carbonylamino)propanoylamino]oxan-4-yl]acetic acid
CID 119214636
2-[4-[4-(4-acetylphenoxy)butanoylamino]oxan-4-yl]acetic acid
CID 119214907
2-[4-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanoylamino]oxan-4-yl]acetic acid
CID 119215156
2-[4-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]oxan-4-yl]acetic acid
CID 119215641
2-[1-[(2-methyl-2-phenylpropanoyl)amino]cyclobutyl]acetic acid
CID 79845796
2-[4-[6-(4-methoxyphenyl)hexanoylamino]oxan-4-yl]acetic acid
CID 119214832
2-[1-[(4-amino-4-methylpentanoyl)amino]cyclopentyl]acetic acid
CID 64702299
2-[4-[[2-(4-ethylsulfonylphenyl)acetyl]amino]oxan-4-yl]acetic acid
CID 119214834

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methyl-4-phenylpentanoyl)amino]oxan-4-yl]acetic acid?
The IUPAC name of 2-[4-[(4-methyl-4-phenylpentanoyl)amino]oxan-4-yl]acetic acid (CID 120521448) is 2-[4-[(4-methyl-4-phenylpentanoyl)amino]oxan-4-yl]acetic acid.
What is the SMILES notation for 2-[4-[(4-methyl-4-phenylpentanoyl)amino]oxan-4-yl]acetic acid?
The canonical SMILES for 2-[4-[(4-methyl-4-phenylpentanoyl)amino]oxan-4-yl]acetic acid is CC(C)(CCC(=O)NC1(CC(=O)O)CCOCC1)c1ccccc1.
What is the InChIKey of 2-[4-[(4-methyl-4-phenylpentanoyl)amino]oxan-4-yl]acetic acid?
The InChIKey is ZQFNBWYFLHUARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO4/c1-18(2,15-6-4-3-5-7-15)9-8-16(21)20-19(14-17(22)23)10-12-24-13-11-19/h3-7H,8-14H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 2-[4-[(4-methyl-4-phenylpentanoyl)amino]oxan-4-yl]acetic acid?
2-[4-[(4-methyl-4-phenylpentanoyl)amino]oxan-4-yl]acetic acid has a molecular weight of 333.43 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methyl-4-phenylpentanoyl)amino]oxan-4-yl]acetic acid is sourced from PubChem (CID 120521448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).