tert-butyl N-[1-[(2-phenylethylamino)methyl]cyclobutyl]carbamate

C18H28N2O2 — CID 104872135

IUPACtert-butyl N-[1-[(2-phenylethylamino)methyl]cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(CNCCc2ccccc2)CCC1
InChIInChI=1S/C18H28N2O2/c1-17(2,3)22-16(21)20-18(11-7-12-18)14-19-13-10-15-8-5-4-6-9-15/h4-6,8-9,19H,7,10-14H2,1-3H3,(H,20,21)
InChIKeyQFAUKFMJNCAFLK-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.27
Rot. Bonds6

About tert-butyl N-[1-[(2-phenylethylamino)methyl]cyclobutyl]carbamate

tert-butyl N-[1-[(2-phenylethylamino)methyl]cyclobutyl]carbamate (PubChem CID 104872135) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is tert-butyl N-[1-[(2-phenylethylamino)methyl]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(2-phenylethylamino)methyl]cyclobutyl]carbamate
PubChem CID104872135
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Nametert-butyl N-[1-[(2-phenylethylamino)methyl]cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(CNCCc2ccccc2)CCC1
InChIInChI=1S/C18H28N2O2/c1-17(2,3)22-16(21)20-18(11-7-12-18)14-19-13-10-15-8-5-4-6-9-15/h4-6,8-9,19H,7,10-14H2,1-3H3,(H,20,21)
InChIKeyQFAUKFMJNCAFLK-UHFFFAOYSA-N
XLogP3.27
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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tert-butyl N-[1-[[(2,6-dimethylphenyl)methylamino]methyl]cyclobutyl]carbamate
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tert-butyl N-[1-[(3-methylsulfanylpropylamino)methyl]cyclobutyl]carbamate
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tert-butyl N-[1-(phenylmethoxymethyl)cyclopropyl]carbamate
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tert-butyl N-[1-(2-phenylmethoxyethyl)cyclopropyl]carbamate
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tert-butyl N-[1-[[(3-bromothiophen-2-yl)methylamino]methyl]cyclobutyl]carbamate
CID 104756818
tert-butyl N-[1-[[(2-bromobenzoyl)amino]methyl]cycloheptyl]carbamate
CID 31862544
tert-butyl N-[1-[[(2-chloro-6-fluorophenyl)methylamino]methyl]cyclobutyl]carbamate
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tert-butyl N-[1-[[(2,4-dichlorophenyl)methylamino]methyl]cyclobutyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(2-phenylethylamino)methyl]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[1-[(2-phenylethylamino)methyl]cyclobutyl]carbamate (CID 104872135) is tert-butyl N-[1-[(2-phenylethylamino)methyl]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(2-phenylethylamino)methyl]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(2-phenylethylamino)methyl]cyclobutyl]carbamate is CC(C)(C)OC(=O)NC1(CNCCc2ccccc2)CCC1.
What is the InChIKey of tert-butyl N-[1-[(2-phenylethylamino)methyl]cyclobutyl]carbamate?
The InChIKey is QFAUKFMJNCAFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-17(2,3)22-16(21)20-18(11-7-12-18)14-19-13-10-15-8-5-4-6-9-15/h4-6,8-9,19H,7,10-14H2,1-3H3,(H,20,21).
What are the key properties of tert-butyl N-[1-[(2-phenylethylamino)methyl]cyclobutyl]carbamate?
tert-butyl N-[1-[(2-phenylethylamino)methyl]cyclobutyl]carbamate has a molecular weight of 304.43 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(2-phenylethylamino)methyl]cyclobutyl]carbamate is sourced from PubChem (CID 104872135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).