[3-fluoro-5-[3-(propan-2-ylamino)cyclobutyl]oxyphenyl]methyl 2-methylpropanoate

C18H26FNO3 — CID 135167802

IUPAC[3-fluoro-5-[3-(propan-2-ylamino)cyclobutyl]oxyphenyl]methyl 2-methylpropanoate
SMILESCC(C)NC1CC(Oc2cc(F)cc(COC(=O)C(C)C)c2)C1
InChIInChI=1S/C18H26FNO3/c1-11(2)18(21)22-10-13-5-14(19)7-16(6-13)23-17-8-15(9-17)20-12(3)4/h5-7,11-12,15,17,20H,8-10H2,1-4H3
InChIKeyXVLDLAULRVVYQF-UHFFFAOYSA-N
MW323.41 g/mol
LogP3.43
Rot. Bonds7

About [3-fluoro-5-[3-(propan-2-ylamino)cyclobutyl]oxyphenyl]methyl 2-methylpropanoate

[3-fluoro-5-[3-(propan-2-ylamino)cyclobutyl]oxyphenyl]methyl 2-methylpropanoate (PubChem CID 135167802) has the molecular formula C18H26FNO3 and a molecular weight of 323.41 g/mol. Its IUPAC name is [3-fluoro-5-[3-(propan-2-ylamino)cyclobutyl]oxyphenyl]methyl 2-methylpropanoate.

Molecular Properties

Compound Name[3-fluoro-5-[3-(propan-2-ylamino)cyclobutyl]oxyphenyl]methyl 2-methylpropanoate
PubChem CID135167802
Molecular FormulaC18H26FNO3
Molecular Weight323.41 g/mol
Exact Mass323.19
IUPAC Name[3-fluoro-5-[3-(propan-2-ylamino)cyclobutyl]oxyphenyl]methyl 2-methylpropanoate
SMILESCC(C)NC1CC(Oc2cc(F)cc(COC(=O)C(C)C)c2)C1
InChIInChI=1S/C18H26FNO3/c1-11(2)18(21)22-10-13-5-14(19)7-16(6-13)23-17-8-15(9-17)20-12(3)4/h5-7,11-12,15,17,20H,8-10H2,1-4H3
InChIKeyXVLDLAULRVVYQF-UHFFFAOYSA-N
XLogP3.43
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.41
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-fluoro-5-[3-(propan-2-ylamino)cyclobutyl]oxyphenyl]methyl 2-methylpropanoate 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

1-[3-fluoro-5-[3-(1-sulfanylethylamino)cyclobutyl]oxyphenyl]-4-methylpentan-3-one
CID 135216912
S-methyl 2-[3-fluoro-5-[3-(propan-2-ylamino)cyclobutyl]oxyphenoxy]ethanethioate
CID 134582859
3-(3-fluoro-5-propylphenoxy)-N-methylcyclobutan-1-amine
CID 135278344
1-[3-[3-(ethylamino)cyclobutyl]oxy-5-fluorophenyl]-4-methyl-7-[[3-[4-(3-methyl-2-oxobutyl)phenoxy]cyclobutyl]amino]octan-3-one
CID 134582786
N-ethyl-3-(3-fluoro-5-methylphenoxy)cyclobutan-1-amine
CID 142365199
2,2-dimethyl-4-[3-[3-(propan-2-ylamino)cyclobutyl]oxyphenyl]butanal
CID 135174776
3-[(3,5-difluorophenyl)methoxy]-N-propan-2-ylpiperidine-1-carboxamide
CID 46029174
2-methyl-1-[6-[3-(1-sulfanylethylamino)cyclobutyl]oxy-1-benzofuran-2-yl]propan-1-one
CID 135278906
benzyl 2-(cyclopentylamino)propanoate
CID 123711216
S-methyl 3-[2-[3-(propan-2-ylamino)cyclobutyl]oxy-4-pyridinyl]propanethioate
CID 167293098
methyl 2-(cycloheptylamino)-2-(3,5-difluorophenyl)acetate
CID 106528954
N-[[3-fluoro-5-(oxan-3-yloxy)phenyl]methyl]ethanamine
CID 107134560

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-5-[3-(propan-2-ylamino)cyclobutyl]oxyphenyl]methyl 2-methylpropanoate?
The IUPAC name of [3-fluoro-5-[3-(propan-2-ylamino)cyclobutyl]oxyphenyl]methyl 2-methylpropanoate (CID 135167802) is [3-fluoro-5-[3-(propan-2-ylamino)cyclobutyl]oxyphenyl]methyl 2-methylpropanoate.
What is the SMILES notation for [3-fluoro-5-[3-(propan-2-ylamino)cyclobutyl]oxyphenyl]methyl 2-methylpropanoate?
The canonical SMILES for [3-fluoro-5-[3-(propan-2-ylamino)cyclobutyl]oxyphenyl]methyl 2-methylpropanoate is CC(C)NC1CC(Oc2cc(F)cc(COC(=O)C(C)C)c2)C1.
What is the InChIKey of [3-fluoro-5-[3-(propan-2-ylamino)cyclobutyl]oxyphenyl]methyl 2-methylpropanoate?
The InChIKey is XVLDLAULRVVYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FNO3/c1-11(2)18(21)22-10-13-5-14(19)7-16(6-13)23-17-8-15(9-17)20-12(3)4/h5-7,11-12,15,17,20H,8-10H2,1-4H3.
What are the key properties of [3-fluoro-5-[3-(propan-2-ylamino)cyclobutyl]oxyphenyl]methyl 2-methylpropanoate?
[3-fluoro-5-[3-(propan-2-ylamino)cyclobutyl]oxyphenyl]methyl 2-methylpropanoate has a molecular weight of 323.41 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-5-[3-(propan-2-ylamino)cyclobutyl]oxyphenyl]methyl 2-methylpropanoate is sourced from PubChem (CID 135167802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).