[3-(4-tert-butylanilino)cyclobutyl] carbamate

C15H22N2O2 — CID 175562231

IUPAC[3-(4-tert-butylanilino)cyclobutyl] carbamate
SMILESCC(C)(C)c1ccc(NC2CC(OC(N)=O)C2)cc1
InChIInChI=1S/C15H22N2O2/c1-15(2,3)10-4-6-11(7-5-10)17-12-8-13(9-12)19-14(16)18/h4-7,12-13,17H,8-9H2,1-3H3,(H2,16,18)
InChIKeyVJFQVIWWLJYIGF-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.02
Rot. Bonds3

About [3-(4-tert-butylanilino)cyclobutyl] carbamate

[3-(4-tert-butylanilino)cyclobutyl] carbamate (PubChem CID 175562231) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is [3-(4-tert-butylanilino)cyclobutyl] carbamate.

Molecular Properties

Compound Name[3-(4-tert-butylanilino)cyclobutyl] carbamate
PubChem CID175562231
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name[3-(4-tert-butylanilino)cyclobutyl] carbamate
SMILESCC(C)(C)c1ccc(NC2CC(OC(N)=O)C2)cc1
InChIInChI=1S/C15H22N2O2/c1-15(2,3)10-4-6-11(7-5-10)17-12-8-13(9-12)19-14(16)18/h4-7,12-13,17H,8-9H2,1-3H3,(H2,16,18)
InChIKeyVJFQVIWWLJYIGF-UHFFFAOYSA-N
XLogP3.02
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[4-(2-methylbutan-2-yl)anilino]cyclopentyl] carbamate
CID 175562349
[4-[4-(2-methylbutan-2-yl)anilino]cyclohexyl] carbamate
CID 175562141
4-tert-butyl-N-(3-methylcyclobutyl)aniline
CID 103560717
N-(4-tert-butylphenyl)cyclooctanamine
CID 28526641
[(1S,3S)-3-(tert-butylamino)cyclopentyl] carbamate
CID 177250020
methyl N-[4-[(3-methoxycyclobutyl)amino]phenyl]carbamate
CID 104870398
2-[4-[(3-methylcyclobutyl)amino]phenoxy]acetamide
CID 104860036
4-tert-butyl-N-(3-methylcyclohexyl)aniline
CID 43099749
2-[4-[(3-propan-2-ylcyclobutyl)amino]phenoxy]acetamide
CID 103561296
4-(cyclopropylamino)benzamide
CID 103605968
[4-(cyclopropylamino)phenyl]urea
CID 103439135
4-[(3-aminocyclobutyl)amino]-N-methylbenzamide
CID 80559709

Frequently Asked Questions

What is the IUPAC name of [3-(4-tert-butylanilino)cyclobutyl] carbamate?
The IUPAC name of [3-(4-tert-butylanilino)cyclobutyl] carbamate (CID 175562231) is [3-(4-tert-butylanilino)cyclobutyl] carbamate.
What is the SMILES notation for [3-(4-tert-butylanilino)cyclobutyl] carbamate?
The canonical SMILES for [3-(4-tert-butylanilino)cyclobutyl] carbamate is CC(C)(C)c1ccc(NC2CC(OC(N)=O)C2)cc1.
What is the InChIKey of [3-(4-tert-butylanilino)cyclobutyl] carbamate?
The InChIKey is VJFQVIWWLJYIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(2,3)10-4-6-11(7-5-10)17-12-8-13(9-12)19-14(16)18/h4-7,12-13,17H,8-9H2,1-3H3,(H2,16,18).
What are the key properties of [3-(4-tert-butylanilino)cyclobutyl] carbamate?
[3-(4-tert-butylanilino)cyclobutyl] carbamate has a molecular weight of 262.35 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-tert-butylanilino)cyclobutyl] carbamate is sourced from PubChem (CID 175562231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).