(4-amino-3-methyloxolan-3-yl)-(3-cyclobutylphenyl)methanone

C16H21NO2 — CID 114607511

IUPAC(4-amino-3-methyloxolan-3-yl)-(3-cyclobutylphenyl)methanone
SMILESCC1(C(=O)c2cccc(C3CCC3)c2)COCC1N
InChIInChI=1S/C16H21NO2/c1-16(10-19-9-14(16)17)15(18)13-7-3-6-12(8-13)11-4-2-5-11/h3,6-8,11,14H,2,4-5,9-10,17H2,1H3
InChIKeyRHEMLVWCMLFJFC-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.50
Rot. Bonds3

About (4-amino-3-methyloxolan-3-yl)-(3-cyclobutylphenyl)methanone

(4-amino-3-methyloxolan-3-yl)-(3-cyclobutylphenyl)methanone (PubChem CID 114607511) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is (4-amino-3-methyloxolan-3-yl)-(3-cyclobutylphenyl)methanone.

Molecular Properties

Compound Name(4-amino-3-methyloxolan-3-yl)-(3-cyclobutylphenyl)methanone
PubChem CID114607511
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name(4-amino-3-methyloxolan-3-yl)-(3-cyclobutylphenyl)methanone
SMILESCC1(C(=O)c2cccc(C3CCC3)c2)COCC1N
InChIInChI=1S/C16H21NO2/c1-16(10-19-9-14(16)17)15(18)13-7-3-6-12(8-13)11-4-2-5-11/h3,6-8,11,14H,2,4-5,9-10,17H2,1H3
InChIKeyRHEMLVWCMLFJFC-UHFFFAOYSA-N
XLogP2.50
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-amino-3-methyloxolan-3-yl)-(4-phenylpiperidin-1-yl)methanone
CID 66250245
(3-cyclobutylphenyl)-(1-hydroxycyclopentyl)methanone
CID 103447908
(3-cyclobutylphenyl)-(4-ethoxyoxan-4-yl)methanone
CID 114602138
[1-(aminomethyl)-4-methylcyclohexyl]-(3-cyclobutylphenyl)methanone
CID 114607743
(3-cyclobutylphenyl)-(1-methoxycycloheptyl)methanone
CID 114602144
(4-amino-3-methyloxolan-3-yl)-(cyclohexen-1-yl)methanone
CID 106655251
(4-amino-3-methyloxolan-3-yl)-(2-chloro-5-fluorophenyl)methanone
CID 105396430
1-(3-cyclobutylphenyl)-2-ethyl-2-methoxybutan-1-one
CID 114602128
(4-aminophenyl)-(3-cyclobutylphenyl)methanone
CID 114607433
1-[3-(4,4-dimethylcyclohexyl)phenyl]ethanone
CID 84693841
4-amino-N-[(3-methoxyphenyl)methyl]-3-methyloxolane-3-carboxamide
CID 66250429
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(4-amino-3-methyloxolan-3-yl)methanone
CID 115559743

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-methyloxolan-3-yl)-(3-cyclobutylphenyl)methanone?
The IUPAC name of (4-amino-3-methyloxolan-3-yl)-(3-cyclobutylphenyl)methanone (CID 114607511) is (4-amino-3-methyloxolan-3-yl)-(3-cyclobutylphenyl)methanone.
What is the SMILES notation for (4-amino-3-methyloxolan-3-yl)-(3-cyclobutylphenyl)methanone?
The canonical SMILES for (4-amino-3-methyloxolan-3-yl)-(3-cyclobutylphenyl)methanone is CC1(C(=O)c2cccc(C3CCC3)c2)COCC1N.
What is the InChIKey of (4-amino-3-methyloxolan-3-yl)-(3-cyclobutylphenyl)methanone?
The InChIKey is RHEMLVWCMLFJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-16(10-19-9-14(16)17)15(18)13-7-3-6-12(8-13)11-4-2-5-11/h3,6-8,11,14H,2,4-5,9-10,17H2,1H3.
What are the key properties of (4-amino-3-methyloxolan-3-yl)-(3-cyclobutylphenyl)methanone?
(4-amino-3-methyloxolan-3-yl)-(3-cyclobutylphenyl)methanone has a molecular weight of 259.35 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-methyloxolan-3-yl)-(3-cyclobutylphenyl)methanone is sourced from PubChem (CID 114607511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).