tert-butyl N-[2-(2-phenylpropan-2-ylamino)ethyl]carbamate

C16H26N2O2 — CID 10891197

IUPACtert-butyl N-[2-(2-phenylpropan-2-ylamino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNC(C)(C)c1ccccc1
InChIInChI=1S/C16H26N2O2/c1-15(2,3)20-14(19)17-11-12-18-16(4,5)13-9-7-6-8-10-13/h6-10,18H,11-12H2,1-5H3,(H,17,19)
InChIKeyIKYNZRDKTWPAJX-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.04
Rot. Bonds5

About tert-butyl N-[2-(2-phenylpropan-2-ylamino)ethyl]carbamate

tert-butyl N-[2-(2-phenylpropan-2-ylamino)ethyl]carbamate (PubChem CID 10891197) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is tert-butyl N-[2-(2-phenylpropan-2-ylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-phenylpropan-2-ylamino)ethyl]carbamate
PubChem CID10891197
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Nametert-butyl N-[2-(2-phenylpropan-2-ylamino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNC(C)(C)c1ccccc1
InChIInChI=1S/C16H26N2O2/c1-15(2,3)20-14(19)17-11-12-18-16(4,5)13-9-7-6-8-10-13/h6-10,18H,11-12H2,1-5H3,(H,17,19)
InChIKeyIKYNZRDKTWPAJX-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
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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CID 101134565
tert-butyl N-[2-[[N-ethyl-N'-(2-hydroxy-2-phenylpropyl)carbamimidoyl]amino]ethyl]carbamate;hydroiodide
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tert-butyl N-[2-[[2-(2-hydroxyphenyl)acetyl]amino]ethyl]carbamate
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2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl benzoate
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CID 108864539

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-phenylpropan-2-ylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-phenylpropan-2-ylamino)ethyl]carbamate (CID 10891197) is tert-butyl N-[2-(2-phenylpropan-2-ylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-phenylpropan-2-ylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-phenylpropan-2-ylamino)ethyl]carbamate is CC(C)(C)OC(=O)NCCNC(C)(C)c1ccccc1.
What is the InChIKey of tert-butyl N-[2-(2-phenylpropan-2-ylamino)ethyl]carbamate?
The InChIKey is IKYNZRDKTWPAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-15(2,3)20-14(19)17-11-12-18-16(4,5)13-9-7-6-8-10-13/h6-10,18H,11-12H2,1-5H3,(H,17,19).
What are the key properties of tert-butyl N-[2-(2-phenylpropan-2-ylamino)ethyl]carbamate?
tert-butyl N-[2-(2-phenylpropan-2-ylamino)ethyl]carbamate has a molecular weight of 278.40 g/mol, XLogP of 3.04, 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-(2-phenylpropan-2-ylamino)ethyl]carbamate is sourced from PubChem (CID 10891197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).