tert-butyl N-[4-[1-[(3-methoxycyclobutyl)amino]ethyl]phenyl]carbamate

C18H28N2O3 — CID 107253415

IUPACtert-butyl N-[4-[1-[(3-methoxycyclobutyl)amino]ethyl]phenyl]carbamate
SMILESCOC1CC(NC(C)c2ccc(NC(=O)OC(C)(C)C)cc2)C1
InChIInChI=1S/C18H28N2O3/c1-12(19-15-10-16(11-15)22-5)13-6-8-14(9-7-13)20-17(21)23-18(2,3)4/h6-9,12,15-16,19H,10-11H2,1-5H3,(H,20,21)
InChIKeyLYLOXNWSZFNHEX-UHFFFAOYSA-N
MW320.43 g/mol
LogP3.86
Rot. Bonds5

About tert-butyl N-[4-[1-[(3-methoxycyclobutyl)amino]ethyl]phenyl]carbamate

tert-butyl N-[4-[1-[(3-methoxycyclobutyl)amino]ethyl]phenyl]carbamate (PubChem CID 107253415) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is tert-butyl N-[4-[1-[(3-methoxycyclobutyl)amino]ethyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[1-[(3-methoxycyclobutyl)amino]ethyl]phenyl]carbamate
PubChem CID107253415
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Nametert-butyl N-[4-[1-[(3-methoxycyclobutyl)amino]ethyl]phenyl]carbamate
SMILESCOC1CC(NC(C)c2ccc(NC(=O)OC(C)(C)C)cc2)C1
InChIInChI=1S/C18H28N2O3/c1-12(19-15-10-16(11-15)22-5)13-6-8-14(9-7-13)20-17(21)23-18(2,3)4/h6-9,12,15-16,19H,10-11H2,1-5H3,(H,20,21)
InChIKeyLYLOXNWSZFNHEX-UHFFFAOYSA-N
XLogP3.86
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[4-[1-(cyclopentylmethylamino)ethyl]phenyl]carbamate
CID 107253394
tert-butyl N-(4-propan-2-ylphenyl)carbamate
CID 10868278
tert-butyl N-[3-[[(1R)-1-(4-methylphenyl)ethyl]amino]cyclobutyl]carbamate
CID 103790111
[4-[1-[(3-methoxycyclohexyl)amino]ethyl]phenyl]urea
CID 103904097
N-[1-(4-iodophenyl)ethyl]-3-methoxycyclobutan-1-amine
CID 104584402
3-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]cyclobutan-1-amine
CID 106821544
methyl N-[4-[(3-methoxycyclobutyl)amino]phenyl]carbamate
CID 104870398
tert-butyl N-[2-methoxy-4-[(3-methoxycyclobutyl)amino]phenyl]carbamate
CID 104870570
tert-butyl N-[4-[1-(4-methylpentan-2-ylamino)ethyl]phenyl]carbamate
CID 107253386
tert-butyl N-[3-[1-(3,5-difluorophenyl)ethylamino]cyclobutyl]carbamate
CID 107239164
tert-butyl N-[3-[[(1S)-1-(4-methylphenyl)ethyl]amino]cyclohexyl]carbamate
CID 113263051
tert-butyl N-[4-[1-(3,5-difluorophenyl)ethylamino]phenyl]carbamate
CID 113354871

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[1-[(3-methoxycyclobutyl)amino]ethyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[1-[(3-methoxycyclobutyl)amino]ethyl]phenyl]carbamate (CID 107253415) is tert-butyl N-[4-[1-[(3-methoxycyclobutyl)amino]ethyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[1-[(3-methoxycyclobutyl)amino]ethyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[1-[(3-methoxycyclobutyl)amino]ethyl]phenyl]carbamate is COC1CC(NC(C)c2ccc(NC(=O)OC(C)(C)C)cc2)C1.
What is the InChIKey of tert-butyl N-[4-[1-[(3-methoxycyclobutyl)amino]ethyl]phenyl]carbamate?
The InChIKey is LYLOXNWSZFNHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-12(19-15-10-16(11-15)22-5)13-6-8-14(9-7-13)20-17(21)23-18(2,3)4/h6-9,12,15-16,19H,10-11H2,1-5H3,(H,20,21).
What are the key properties of tert-butyl N-[4-[1-[(3-methoxycyclobutyl)amino]ethyl]phenyl]carbamate?
tert-butyl N-[4-[1-[(3-methoxycyclobutyl)amino]ethyl]phenyl]carbamate has a molecular weight of 320.43 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[1-[(3-methoxycyclobutyl)amino]ethyl]phenyl]carbamate is sourced from PubChem (CID 107253415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).