propan-2-yl N-[1-(4-bromophenyl)cyclobutyl]carbamate

C14H18BrNO2 — CID 118391631

IUPACpropan-2-yl N-[1-(4-bromophenyl)cyclobutyl]carbamate
SMILESCC(C)OC(=O)NC1(c2ccc(Br)cc2)CCC1
InChIInChI=1S/C14H18BrNO2/c1-10(2)18-13(17)16-14(8-3-9-14)11-4-6-12(15)7-5-11/h4-7,10H,3,8-9H2,1-2H3,(H,16,17)
InChIKeyPQMSPMDTPHNURU-UHFFFAOYSA-N
MW312.21 g/mol
LogP3.96
Rot. Bonds3

About propan-2-yl N-[1-(4-bromophenyl)cyclobutyl]carbamate

propan-2-yl N-[1-(4-bromophenyl)cyclobutyl]carbamate (PubChem CID 118391631) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is propan-2-yl N-[1-(4-bromophenyl)cyclobutyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[1-(4-bromophenyl)cyclobutyl]carbamate
PubChem CID118391631
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC Namepropan-2-yl N-[1-(4-bromophenyl)cyclobutyl]carbamate
SMILESCC(C)OC(=O)NC1(c2ccc(Br)cc2)CCC1
InChIInChI=1S/C14H18BrNO2/c1-10(2)18-13(17)16-14(8-3-9-14)11-4-6-12(15)7-5-11/h4-7,10H,3,8-9H2,1-2H3,(H,16,17)
InChIKeyPQMSPMDTPHNURU-UHFFFAOYSA-N
XLogP3.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[1-(4-bromophenyl)cyclopropyl]carbamate
CID 53216208
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CID 120589748
N-[1-(4-bromophenyl)cyclobutyl]piperidine-3-carboxamide;hydrochloride
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7-amino-N-[1-(4-bromophenyl)cyclobutyl]heptanamide
CID 119740974
2-[[1-(4-bromophenyl)cyclobutyl]amino]acetic acid;hydrochloride
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1-(4-bromophenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea
CID 113215296
tert-butyl N-[1-(3-bromo-4-fluorophenyl)cyclobutyl]carbamate
CID 129056408
tert-butyl N-[1-(4-cyanophenyl)cyclobutyl]carbamate
CID 46856381
tert-butyl N-[1-(4-bromophenyl)-3-fluorocyclobutyl]carbamate
CID 58229889
(2R)-2-[[1-(4-bromophenyl)cyclobutanecarbonyl]amino]propanoic acid
CID 119243849
N-[1-(4-methoxyphenyl)cyclohexyl]-2-methylpropanamide
CID 110478522
(2R)-2-amino-N-(1-phenylcyclobutyl)propanamide
CID 119275385

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[1-(4-bromophenyl)cyclobutyl]carbamate?
The IUPAC name of propan-2-yl N-[1-(4-bromophenyl)cyclobutyl]carbamate (CID 118391631) is propan-2-yl N-[1-(4-bromophenyl)cyclobutyl]carbamate.
What is the SMILES notation for propan-2-yl N-[1-(4-bromophenyl)cyclobutyl]carbamate?
The canonical SMILES for propan-2-yl N-[1-(4-bromophenyl)cyclobutyl]carbamate is CC(C)OC(=O)NC1(c2ccc(Br)cc2)CCC1.
What is the InChIKey of propan-2-yl N-[1-(4-bromophenyl)cyclobutyl]carbamate?
The InChIKey is PQMSPMDTPHNURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c1-10(2)18-13(17)16-14(8-3-9-14)11-4-6-12(15)7-5-11/h4-7,10H,3,8-9H2,1-2H3,(H,16,17).
What are the key properties of propan-2-yl N-[1-(4-bromophenyl)cyclobutyl]carbamate?
propan-2-yl N-[1-(4-bromophenyl)cyclobutyl]carbamate has a molecular weight of 312.21 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[1-(4-bromophenyl)cyclobutyl]carbamate is sourced from PubChem (CID 118391631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).