tert-butyl N-[3-(3-propoxyanilino)cyclobutyl]carbamate

C18H28N2O3 — CID 103759438

IUPACtert-butyl N-[3-(3-propoxyanilino)cyclobutyl]carbamate
SMILESCCCOc1cccc(NC2CC(NC(=O)OC(C)(C)C)C2)c1
InChIInChI=1S/C18H28N2O3/c1-5-9-22-16-8-6-7-13(12-16)19-14-10-15(11-14)20-17(21)23-18(2,3)4/h6-8,12,14-15,19H,5,9-11H2,1-4H3,(H,20,21)
InChIKeyIUPGHIBWNGFUGY-UHFFFAOYSA-N
MW320.43 g/mol
LogP3.94
Rot. Bonds6

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

tert-butyl N-[3-(3-propoxyanilino)cyclobutyl]carbamate (PubChem CID 103759438) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is tert-butyl N-[3-(3-propoxyanilino)cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(3-propoxyanilino)cyclobutyl]carbamate
PubChem CID103759438
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Nametert-butyl N-[3-(3-propoxyanilino)cyclobutyl]carbamate
SMILESCCCOc1cccc(NC2CC(NC(=O)OC(C)(C)C)C2)c1
InChIInChI=1S/C18H28N2O3/c1-5-9-22-16-8-6-7-13(12-16)19-14-10-15(11-14)20-17(21)23-18(2,3)4/h6-8,12,14-15,19H,5,9-11H2,1-4H3,(H,20,21)
InChIKeyIUPGHIBWNGFUGY-UHFFFAOYSA-N
XLogP3.94
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[3-[(3-methylcyclobutyl)amino]phenoxy]ethyl]carbamate
CID 104860245
tert-butyl N-[3-[3-(diethylaminomethyl)anilino]cyclobutyl]carbamate
CID 113256335
N-(3-phenylcyclobutyl)-3-propoxyaniline
CID 43693771
tert-butyl N-[3-(3-methylanilino)cyclopentyl]carbamate
CID 79461940
tert-butyl N-[3-(3,4-dichloroanilino)cyclobutyl]carbamate
CID 80559110
tert-butyl N-[4-(3-ethylanilino)cyclohexyl]carbamate
CID 103715367
tert-butyl N-[3-(quinolin-3-ylamino)cyclobutyl]carbamate
CID 103759434
tert-butyl N-[3-[3-(2-oxopyrrolidin-1-yl)anilino]cyclobutyl]carbamate
CID 113256308
tert-butyl N-[3-(2-ethyl-6-methylanilino)cyclobutyl]carbamate
CID 103759544
tert-butyl N-[3-(3,5-difluoroanilino)cyclobutyl]carbamate
CID 80559388
tert-butyl N-[3-[2-(oxetan-3-ylamino)ethoxy]phenyl]carbamate
CID 107243444
1,1-dioxo-N-(3-propoxyphenyl)thian-4-amine
CID 43693787

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(3-propoxyanilino)cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-(3-propoxyanilino)cyclobutyl]carbamate (CID 103759438) is tert-butyl N-[3-(3-propoxyanilino)cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(3-propoxyanilino)cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(3-propoxyanilino)cyclobutyl]carbamate is CCCOc1cccc(NC2CC(NC(=O)OC(C)(C)C)C2)c1.
What is the InChIKey of tert-butyl N-[3-(3-propoxyanilino)cyclobutyl]carbamate?
The InChIKey is IUPGHIBWNGFUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-5-9-22-16-8-6-7-13(12-16)19-14-10-15(11-14)20-17(21)23-18(2,3)4/h6-8,12,14-15,19H,5,9-11H2,1-4H3,(H,20,21).
What are the key properties of tert-butyl N-[3-(3-propoxyanilino)cyclobutyl]carbamate?
tert-butyl N-[3-(3-propoxyanilino)cyclobutyl]carbamate has a molecular weight of 320.43 g/mol, XLogP of 3.94, 6 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-propoxyanilino)cyclobutyl]carbamate is sourced from PubChem (CID 103759438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).