2-[4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]oxan-4-yl]acetic acid

C18H25NO5 — CID 119215134

IUPAC2-[4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]oxan-4-yl]acetic acid
SMILESCC(C)Oc1cccc(CC(=O)NC2(CC(=O)O)CCOCC2)c1
InChIInChI=1S/C18H25NO5/c1-13(2)24-15-5-3-4-14(10-15)11-16(20)19-18(12-17(21)22)6-8-23-9-7-18/h3-5,10,13H,6-9,11-12H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyOMOZRDNJWOISSL-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.16
Rot. Bonds7

About 2-[4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]oxan-4-yl]acetic acid

2-[4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]oxan-4-yl]acetic acid (PubChem CID 119215134) has the molecular formula C18H25NO5 and a molecular weight of 335.40 g/mol. Its IUPAC name is 2-[4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]oxan-4-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]oxan-4-yl]acetic acid
PubChem CID119215134
Molecular FormulaC18H25NO5
Molecular Weight335.40 g/mol
Exact Mass335.17
IUPAC Name2-[4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]oxan-4-yl]acetic acid
SMILESCC(C)Oc1cccc(CC(=O)NC2(CC(=O)O)CCOCC2)c1
InChIInChI=1S/C18H25NO5/c1-13(2)24-15-5-3-4-14(10-15)11-16(20)19-18(12-17(21)22)6-8-23-9-7-18/h3-5,10,13H,6-9,11-12H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyOMOZRDNJWOISSL-UHFFFAOYSA-N
XLogP2.16
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]oxan-4-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[2-(3-acetylphenoxy)propanoylamino]oxan-4-yl]acetic acid
CID 119215806
N-[4-(hydroxymethyl)oxan-4-yl]-2-(3-hydroxyphenyl)acetamide
CID 104630714
2-[4-(3-phenylbutanoylamino)oxan-4-yl]acetic acid
CID 119214884
2-[4-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]oxan-4-yl]acetic acid
CID 119214924
2-(3-chlorophenyl)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide
CID 103954217
(2R)-2-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]propanoic acid
CID 119244137
2-[1-[[2-(3-ethylphenoxy)acetyl]amino]cyclobutyl]acetic acid
CID 79844002
2-[4-[[2-(4-ethylsulfonylphenyl)acetyl]amino]oxan-4-yl]acetic acid
CID 119214834
2-(3-propan-2-yloxyphenyl)acetyl chloride
CID 18333440
2-[4-[2-(4-bromophenoxy)propanoylamino]oxan-4-yl]acetic acid
CID 119214918
N-[4-(bromomethyl)oxan-4-yl]-2-phenylacetamide
CID 106300936
3-[4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]phenyl]propanoic acid
CID 119252327

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]oxan-4-yl]acetic acid?
The IUPAC name of 2-[4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]oxan-4-yl]acetic acid (CID 119215134) is 2-[4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]oxan-4-yl]acetic acid.
What is the SMILES notation for 2-[4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]oxan-4-yl]acetic acid?
The canonical SMILES for 2-[4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]oxan-4-yl]acetic acid is CC(C)Oc1cccc(CC(=O)NC2(CC(=O)O)CCOCC2)c1.
What is the InChIKey of 2-[4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]oxan-4-yl]acetic acid?
The InChIKey is OMOZRDNJWOISSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO5/c1-13(2)24-15-5-3-4-14(10-15)11-16(20)19-18(12-17(21)22)6-8-23-9-7-18/h3-5,10,13H,6-9,11-12H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 2-[4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]oxan-4-yl]acetic acid?
2-[4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]oxan-4-yl]acetic acid has a molecular weight of 335.40 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]oxan-4-yl]acetic acid is sourced from PubChem (CID 119215134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).