[3-[methoxy(methyl)carbamoyl]cyclobutyl] benzoate

C14H17NO4 — CID 176887704

IUPAC[3-[methoxy(methyl)carbamoyl]cyclobutyl] benzoate
SMILESCON(C)C(=O)C1CC(OC(=O)c2ccccc2)C1
InChIInChI=1S/C14H17NO4/c1-15(18-2)13(16)11-8-12(9-11)19-14(17)10-6-4-3-5-7-10/h3-7,11-12H,8-9H2,1-2H3
InChIKeyQUCGXVDRDBPYOI-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.64
Rot. Bonds4

About [3-[methoxy(methyl)carbamoyl]cyclobutyl] benzoate

[3-[methoxy(methyl)carbamoyl]cyclobutyl] benzoate (PubChem CID 176887704) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is [3-[methoxy(methyl)carbamoyl]cyclobutyl] benzoate.

Molecular Properties

Compound Name[3-[methoxy(methyl)carbamoyl]cyclobutyl] benzoate
PubChem CID176887704
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name[3-[methoxy(methyl)carbamoyl]cyclobutyl] benzoate
SMILESCON(C)C(=O)C1CC(OC(=O)c2ccccc2)C1
InChIInChI=1S/C14H17NO4/c1-15(18-2)13(16)11-8-12(9-11)19-14(17)10-6-4-3-5-7-10/h3-7,11-12H,8-9H2,1-2H3
InChIKeyQUCGXVDRDBPYOI-UHFFFAOYSA-N
XLogP1.64
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methoxy-N-methyl-3-phenylcyclobutane-1-carboxamide
CID 58053348
(3,5-dimethylcyclohexyl) benzoate
CID 15157091
(3-methoxycarbonylcyclopentyl) benzoate
CID 135191852
trans-(1S,2S)-2-benzoyl-N-methoxy-N-methylcyclopropane-1-carboxamide
CID 102245107
benzene;N-methoxy-N-methylcyclopropanecarboxamide
CID 170770192
(4-methoxycyclohexyl) benzoate
CID 101493670
N-methoxy-N-methyl-4-phenylmethoxycyclohexane-1-carboxamide
CID 86642923
[(2S,4R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] benzoate
CID 126652663
(4-hydroxy-3,3,5-trimethylcyclohexyl) benzoate
CID 70364620
[(1S,3S)-3-hydroxycyclopentyl] benzoate
CID 177453571
CID 87858468
CID 87858468
1-benzhydryl-N-methoxy-N-methylazetidine-3-carboxamide
CID 22506711

Frequently Asked Questions

What is the IUPAC name of [3-[methoxy(methyl)carbamoyl]cyclobutyl] benzoate?
The IUPAC name of [3-[methoxy(methyl)carbamoyl]cyclobutyl] benzoate (CID 176887704) is [3-[methoxy(methyl)carbamoyl]cyclobutyl] benzoate.
What is the SMILES notation for [3-[methoxy(methyl)carbamoyl]cyclobutyl] benzoate?
The canonical SMILES for [3-[methoxy(methyl)carbamoyl]cyclobutyl] benzoate is CON(C)C(=O)C1CC(OC(=O)c2ccccc2)C1.
What is the InChIKey of [3-[methoxy(methyl)carbamoyl]cyclobutyl] benzoate?
The InChIKey is QUCGXVDRDBPYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-15(18-2)13(16)11-8-12(9-11)19-14(17)10-6-4-3-5-7-10/h3-7,11-12H,8-9H2,1-2H3.
What are the key properties of [3-[methoxy(methyl)carbamoyl]cyclobutyl] benzoate?
[3-[methoxy(methyl)carbamoyl]cyclobutyl] benzoate has a molecular weight of 263.29 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[methoxy(methyl)carbamoyl]cyclobutyl] benzoate is sourced from PubChem (CID 176887704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).