tert-butyl N-[[3-(3-methoxyphenyl)cyclobutyl]amino]carbamate

C16H24N2O3 — CID 107237136

IUPACtert-butyl N-[[3-(3-methoxyphenyl)cyclobutyl]amino]carbamate
SMILESCOc1cccc(C2CC(NNC(=O)OC(C)(C)C)C2)c1
InChIInChI=1S/C16H24N2O3/c1-16(2,3)21-15(19)18-17-13-8-12(9-13)11-6-5-7-14(10-11)20-4/h5-7,10,12-13,17H,8-9H2,1-4H3,(H,18,19)
InChIKeyOCCNRDMQXSXEJK-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.97
Rot. Bonds4

About tert-butyl N-[[3-(3-methoxyphenyl)cyclobutyl]amino]carbamate

tert-butyl N-[[3-(3-methoxyphenyl)cyclobutyl]amino]carbamate (PubChem CID 107237136) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is tert-butyl N-[[3-(3-methoxyphenyl)cyclobutyl]amino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[3-(3-methoxyphenyl)cyclobutyl]amino]carbamate
PubChem CID107237136
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Nametert-butyl N-[[3-(3-methoxyphenyl)cyclobutyl]amino]carbamate
SMILESCOc1cccc(C2CC(NNC(=O)OC(C)(C)C)C2)c1
InChIInChI=1S/C16H24N2O3/c1-16(2,3)21-15(19)18-17-13-8-12(9-13)11-6-5-7-14(10-11)20-4/h5-7,10,12-13,17H,8-9H2,1-4H3,(H,18,19)
InChIKeyOCCNRDMQXSXEJK-UHFFFAOYSA-N
XLogP2.97
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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N-[3-(3-methoxyphenyl)cyclobutyl]-2-methylcyclopentan-1-amine
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[3-(3-methoxyphenyl)cyclobutyl]amino]carbamate?
The IUPAC name of tert-butyl N-[[3-(3-methoxyphenyl)cyclobutyl]amino]carbamate (CID 107237136) is tert-butyl N-[[3-(3-methoxyphenyl)cyclobutyl]amino]carbamate.
What is the SMILES notation for tert-butyl N-[[3-(3-methoxyphenyl)cyclobutyl]amino]carbamate?
The canonical SMILES for tert-butyl N-[[3-(3-methoxyphenyl)cyclobutyl]amino]carbamate is COc1cccc(C2CC(NNC(=O)OC(C)(C)C)C2)c1.
What is the InChIKey of tert-butyl N-[[3-(3-methoxyphenyl)cyclobutyl]amino]carbamate?
The InChIKey is OCCNRDMQXSXEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-16(2,3)21-15(19)18-17-13-8-12(9-13)11-6-5-7-14(10-11)20-4/h5-7,10,12-13,17H,8-9H2,1-4H3,(H,18,19).
What are the key properties of tert-butyl N-[[3-(3-methoxyphenyl)cyclobutyl]amino]carbamate?
tert-butyl N-[[3-(3-methoxyphenyl)cyclobutyl]amino]carbamate has a molecular weight of 292.38 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[3-(3-methoxyphenyl)cyclobutyl]amino]carbamate is sourced from PubChem (CID 107237136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).