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

C16H26N2O2 — CID 103386957

IUPACtert-butyl N-[2-(1-phenylethylamino)propyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)NC(C)c1ccccc1
InChIInChI=1S/C16H26N2O2/c1-12(11-17-15(19)20-16(3,4)5)18-13(2)14-9-7-6-8-10-14/h6-10,12-13,18H,11H2,1-5H3,(H,17,19)
InChIKeyADLREKZFVYNPKF-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.25
Rot. Bonds5

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

tert-butyl N-[2-(1-phenylethylamino)propyl]carbamate (PubChem CID 103386957) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is tert-butyl N-[2-(1-phenylethylamino)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(1-phenylethylamino)propyl]carbamate
PubChem CID103386957
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Nametert-butyl N-[2-(1-phenylethylamino)propyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)NC(C)c1ccccc1
InChIInChI=1S/C16H26N2O2/c1-12(11-17-15(19)20-16(3,4)5)18-13(2)14-9-7-6-8-10-14/h6-10,12-13,18H,11H2,1-5H3,(H,17,19)
InChIKeyADLREKZFVYNPKF-UHFFFAOYSA-N
XLogP3.25
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(2S)-2-[[(1S)-1-(4-phenylphenyl)ethyl]amino]propyl]carbamate
CID 70806696
tert-butyl N-[2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]propyl]carbamate
CID 103390477
tert-butyl N-[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]propyl]carbamate
CID 103390485
tert-butyl N-[2-[1-(4-ethoxyphenyl)ethylamino]propyl]carbamate
CID 103388764
tert-butyl N-[2-[1-(3,5-difluorophenyl)ethylamino]propyl]carbamate
CID 107248584
tert-butyl N-[2-[[(1R)-1-(2-methylphenyl)ethyl]amino]propyl]carbamate
CID 103390508
tert-butyl N-[2-[1-(3,4-dimethylphenyl)ethylamino]propyl]carbamate
CID 107248220
tert-butyl N-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]propyl]carbamate
CID 103390521
tert-butyl N-[2-(1-phenylpentylamino)propyl]carbamate
CID 107248482
tert-butyl N-[2-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]propyl]carbamate
CID 107862352
tert-butyl N-[2-[3-[2-[[(1R)-1-phenylethyl]amino]propyl]phenyl]ethyl]carbamate
CID 66781839
tert-butyl N-[2-(propan-2-ylamino)propyl]carbamate
CID 103386965

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(1-phenylethylamino)propyl]carbamate?
The IUPAC name of tert-butyl N-[2-(1-phenylethylamino)propyl]carbamate (CID 103386957) is tert-butyl N-[2-(1-phenylethylamino)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(1-phenylethylamino)propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(1-phenylethylamino)propyl]carbamate is CC(CNC(=O)OC(C)(C)C)NC(C)c1ccccc1.
What is the InChIKey of tert-butyl N-[2-(1-phenylethylamino)propyl]carbamate?
The InChIKey is ADLREKZFVYNPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12(11-17-15(19)20-16(3,4)5)18-13(2)14-9-7-6-8-10-14/h6-10,12-13,18H,11H2,1-5H3,(H,17,19).
What are the key properties of tert-butyl N-[2-(1-phenylethylamino)propyl]carbamate?
tert-butyl N-[2-(1-phenylethylamino)propyl]carbamate has a molecular weight of 278.40 g/mol, XLogP of 3.25, 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-(1-phenylethylamino)propyl]carbamate is sourced from PubChem (CID 103386957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).