tert-butyl N-[2-(cyclopentylamino)-1-phenylethyl]carbamate

C18H28N2O2 — CID 103700824

IUPACtert-butyl N-[2-(cyclopentylamino)-1-phenylethyl]carbamate
SMILESCC(C)(C)OC(=O)NC(CNC1CCCC1)c1ccccc1
InChIInChI=1S/C18H28N2O2/c1-18(2,3)22-17(21)20-16(14-9-5-4-6-10-14)13-19-15-11-7-8-12-15/h4-6,9-10,15-16,19H,7-8,11-13H2,1-3H3,(H,20,21)
InChIKeyLQEXPVXSZGZJGU-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.78
Rot. Bonds5

About tert-butyl N-[2-(cyclopentylamino)-1-phenylethyl]carbamate

tert-butyl N-[2-(cyclopentylamino)-1-phenylethyl]carbamate (PubChem CID 103700824) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is tert-butyl N-[2-(cyclopentylamino)-1-phenylethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(cyclopentylamino)-1-phenylethyl]carbamate
PubChem CID103700824
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Nametert-butyl N-[2-(cyclopentylamino)-1-phenylethyl]carbamate
SMILESCC(C)(C)OC(=O)NC(CNC1CCCC1)c1ccccc1
InChIInChI=1S/C18H28N2O2/c1-18(2,3)22-17(21)20-16(14-9-5-4-6-10-14)13-19-15-11-7-8-12-15/h4-6,9-10,15-16,19H,7-8,11-13H2,1-3H3,(H,20,21)
InChIKeyLQEXPVXSZGZJGU-UHFFFAOYSA-N
XLogP3.78
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(cyclopentylamino)-1-phenylethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(cyclopentylamino)-1-phenylethyl]carbamate (CID 103700824) is tert-butyl N-[2-(cyclopentylamino)-1-phenylethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(cyclopentylamino)-1-phenylethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(cyclopentylamino)-1-phenylethyl]carbamate is CC(C)(C)OC(=O)NC(CNC1CCCC1)c1ccccc1.
What is the InChIKey of tert-butyl N-[2-(cyclopentylamino)-1-phenylethyl]carbamate?
The InChIKey is LQEXPVXSZGZJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-18(2,3)22-17(21)20-16(14-9-5-4-6-10-14)13-19-15-11-7-8-12-15/h4-6,9-10,15-16,19H,7-8,11-13H2,1-3H3,(H,20,21).
What are the key properties of tert-butyl N-[2-(cyclopentylamino)-1-phenylethyl]carbamate?
tert-butyl N-[2-(cyclopentylamino)-1-phenylethyl]carbamate has a molecular weight of 304.43 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(cyclopentylamino)-1-phenylethyl]carbamate is sourced from PubChem (CID 103700824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).