tert-butyl N-[4-[(3-oxocyclobutyl)methoxy]phenyl]carbamate

C16H21NO4 — CID 170749117

IUPACtert-butyl N-[4-[(3-oxocyclobutyl)methoxy]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(OCC2CC(=O)C2)cc1
InChIInChI=1S/C16H21NO4/c1-16(2,3)21-15(19)17-12-4-6-14(7-5-12)20-10-11-8-13(18)9-11/h4-7,11H,8-10H2,1-3H3,(H,17,19)
InChIKeyYNGVBASGHGOZFI-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.39
Rot. Bonds4

About tert-butyl N-[4-[(3-oxocyclobutyl)methoxy]phenyl]carbamate

tert-butyl N-[4-[(3-oxocyclobutyl)methoxy]phenyl]carbamate (PubChem CID 170749117) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is tert-butyl N-[4-[(3-oxocyclobutyl)methoxy]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(3-oxocyclobutyl)methoxy]phenyl]carbamate
PubChem CID170749117
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Nametert-butyl N-[4-[(3-oxocyclobutyl)methoxy]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(OCC2CC(=O)C2)cc1
InChIInChI=1S/C16H21NO4/c1-16(2,3)21-15(19)17-12-4-6-14(7-5-12)20-10-11-8-13(18)9-11/h4-7,11H,8-10H2,1-3H3,(H,17,19)
InChIKeyYNGVBASGHGOZFI-UHFFFAOYSA-N
XLogP3.39
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl N-[4-[2-(pyrrolidin-3-ylamino)ethoxy]phenyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(3-oxocyclobutyl)methoxy]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[(3-oxocyclobutyl)methoxy]phenyl]carbamate (CID 170749117) is tert-butyl N-[4-[(3-oxocyclobutyl)methoxy]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[(3-oxocyclobutyl)methoxy]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[(3-oxocyclobutyl)methoxy]phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(OCC2CC(=O)C2)cc1.
What is the InChIKey of tert-butyl N-[4-[(3-oxocyclobutyl)methoxy]phenyl]carbamate?
The InChIKey is YNGVBASGHGOZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-16(2,3)21-15(19)17-12-4-6-14(7-5-12)20-10-11-8-13(18)9-11/h4-7,11H,8-10H2,1-3H3,(H,17,19).
What are the key properties of tert-butyl N-[4-[(3-oxocyclobutyl)methoxy]phenyl]carbamate?
tert-butyl N-[4-[(3-oxocyclobutyl)methoxy]phenyl]carbamate has a molecular weight of 291.35 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[(3-oxocyclobutyl)methoxy]phenyl]carbamate is sourced from PubChem (CID 170749117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).