tert-butyl N-[2-[3-[(3-methylcyclobutyl)amino]phenoxy]ethyl]carbamate

C18H28N2O3 — CID 104860245

IUPACtert-butyl N-[2-[3-[(3-methylcyclobutyl)amino]phenoxy]ethyl]carbamate
SMILESCC1CC(Nc2cccc(OCCNC(=O)OC(C)(C)C)c2)C1
InChIInChI=1S/C18H28N2O3/c1-13-10-15(11-13)20-14-6-5-7-16(12-14)22-9-8-19-17(21)23-18(2,3)4/h5-7,12-13,15,20H,8-11H2,1-4H3,(H,19,21)
InChIKeyWQVZXGHZDGDCRV-UHFFFAOYSA-N
MW320.43 g/mol
LogP3.80
Rot. Bonds6

About tert-butyl N-[2-[3-[(3-methylcyclobutyl)amino]phenoxy]ethyl]carbamate

tert-butyl N-[2-[3-[(3-methylcyclobutyl)amino]phenoxy]ethyl]carbamate (PubChem CID 104860245) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is tert-butyl N-[2-[3-[(3-methylcyclobutyl)amino]phenoxy]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[3-[(3-methylcyclobutyl)amino]phenoxy]ethyl]carbamate
PubChem CID104860245
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Nametert-butyl N-[2-[3-[(3-methylcyclobutyl)amino]phenoxy]ethyl]carbamate
SMILESCC1CC(Nc2cccc(OCCNC(=O)OC(C)(C)C)c2)C1
InChIInChI=1S/C18H28N2O3/c1-13-10-15(11-13)20-14-6-5-7-16(12-14)22-9-8-19-17(21)23-18(2,3)4/h5-7,12-13,15,20H,8-11H2,1-4H3,(H,19,21)
InChIKeyWQVZXGHZDGDCRV-UHFFFAOYSA-N
XLogP3.80
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 ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[3-(3-propoxyanilino)cyclobutyl]carbamate
CID 103759438
tert-butyl N-[2-(3-tert-butylphenoxy)ethyl]carbamate
CID 113100474
tert-butyl N-[2-[3-(2-aminoethoxy)phenoxy]ethyl]carbamate
CID 156819756
tert-butyl N-[3-(3-bromophenoxy)propyl]carbamate
CID 68922177
tert-butyl N-[2-[3-(pentan-2-ylamino)phenoxy]ethyl]carbamate
CID 107244753
tert-butyl N-[2-[[N-[2-(3-acetamidophenoxy)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]carbamate
CID 111884423
tert-butyl N-[3-[2-(oxetan-3-ylamino)ethoxy]phenyl]carbamate
CID 107243444
tert-butyl N-[2-[3-(butan-2-ylsulfonylamino)phenoxy]ethyl]carbamate
CID 68524094
2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phenyl]acetic acid
CID 164513589
tert-butyl N-[2-[3-[[(2S,3R,4R)-1-acetyl-6-cyano-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenoxy]ethyl]carbamate
CID 90434963
tert-butyl N-[2-(3-nitrophenoxy)ethyl]carbamate
CID 21077618
tert-butyl N-[[3-[(3-propan-2-ylcyclobutyl)amino]phenyl]methyl]carbamate
CID 107244643

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[3-[(3-methylcyclobutyl)amino]phenoxy]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[3-[(3-methylcyclobutyl)amino]phenoxy]ethyl]carbamate (CID 104860245) is tert-butyl N-[2-[3-[(3-methylcyclobutyl)amino]phenoxy]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[3-[(3-methylcyclobutyl)amino]phenoxy]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[3-[(3-methylcyclobutyl)amino]phenoxy]ethyl]carbamate is CC1CC(Nc2cccc(OCCNC(=O)OC(C)(C)C)c2)C1.
What is the InChIKey of tert-butyl N-[2-[3-[(3-methylcyclobutyl)amino]phenoxy]ethyl]carbamate?
The InChIKey is WQVZXGHZDGDCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-13-10-15(11-13)20-14-6-5-7-16(12-14)22-9-8-19-17(21)23-18(2,3)4/h5-7,12-13,15,20H,8-11H2,1-4H3,(H,19,21).
What are the key properties of tert-butyl N-[2-[3-[(3-methylcyclobutyl)amino]phenoxy]ethyl]carbamate?
tert-butyl N-[2-[3-[(3-methylcyclobutyl)amino]phenoxy]ethyl]carbamate has a molecular weight of 320.43 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[3-[(3-methylcyclobutyl)amino]phenoxy]ethyl]carbamate is sourced from PubChem (CID 104860245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).