tert-butyl N-[2-[(2-methyl-2-phenylpropyl)amino]propyl]carbamate

C18H30N2O2 — CID 103389357

IUPACtert-butyl N-[2-[(2-methyl-2-phenylpropyl)amino]propyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)NCC(C)(C)c1ccccc1
InChIInChI=1S/C18H30N2O2/c1-14(12-19-16(21)22-17(2,3)4)20-13-18(5,6)15-10-8-7-9-11-15/h7-11,14,20H,12-13H2,1-6H3,(H,19,21)
InChIKeyHURFMGHVWIOOSV-UHFFFAOYSA-N
MW306.45 g/mol
LogP3.47
Rot. Bonds6

About tert-butyl N-[2-[(2-methyl-2-phenylpropyl)amino]propyl]carbamate

tert-butyl N-[2-[(2-methyl-2-phenylpropyl)amino]propyl]carbamate (PubChem CID 103389357) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is tert-butyl N-[2-[(2-methyl-2-phenylpropyl)amino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(2-methyl-2-phenylpropyl)amino]propyl]carbamate
PubChem CID103389357
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Nametert-butyl N-[2-[(2-methyl-2-phenylpropyl)amino]propyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)NCC(C)(C)c1ccccc1
InChIInChI=1S/C18H30N2O2/c1-14(12-19-16(21)22-17(2,3)4)20-13-18(5,6)15-10-8-7-9-11-15/h7-11,14,20H,12-13H2,1-6H3,(H,19,21)
InChIKeyHURFMGHVWIOOSV-UHFFFAOYSA-N
XLogP3.47
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(2-methyl-2-phenylpropyl)amino]propan-1-ol
CID 103912755
tert-butyl N-[2-(1-phenylethylamino)propyl]carbamate
CID 103386957
tert-butyl N-[(2S)-2-(ethylamino)propyl]carbamate
CID 59438683
tert-butyl N-[2-(naphthalen-1-ylmethylamino)propyl]carbamate
CID 103389782
tert-butyl N-[2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]propyl]carbamate
CID 107248510
tert-butyl N-(1-benzamidopropan-2-yl)carbamate
CID 177434930
tert-butyl N-[2-[[4-(trifluoromethyl)phenyl]methylamino]propyl]carbamate
CID 103389858
tert-butyl N-[(2S)-2-[[(1S)-1-(4-phenylphenyl)ethyl]amino]propyl]carbamate
CID 70806696
tert-butyl N-[2-[(2-cyanophenyl)methylamino]propyl]carbamate
CID 107936041
tert-butyl N-[2-(2-methylbutylamino)propyl]carbamate
CID 103389833
tert-butyl N-[2-(2-methoxyethylamino)propyl]carbamate
CID 103386968
tert-butyl N-[2-(2-phenylpropan-2-ylamino)ethyl]carbamate
CID 10891197

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(2-methyl-2-phenylpropyl)amino]propyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(2-methyl-2-phenylpropyl)amino]propyl]carbamate (CID 103389357) is tert-butyl N-[2-[(2-methyl-2-phenylpropyl)amino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(2-methyl-2-phenylpropyl)amino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(2-methyl-2-phenylpropyl)amino]propyl]carbamate is CC(CNC(=O)OC(C)(C)C)NCC(C)(C)c1ccccc1.
What is the InChIKey of tert-butyl N-[2-[(2-methyl-2-phenylpropyl)amino]propyl]carbamate?
The InChIKey is HURFMGHVWIOOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-14(12-19-16(21)22-17(2,3)4)20-13-18(5,6)15-10-8-7-9-11-15/h7-11,14,20H,12-13H2,1-6H3,(H,19,21).
What are the key properties of tert-butyl N-[2-[(2-methyl-2-phenylpropyl)amino]propyl]carbamate?
tert-butyl N-[2-[(2-methyl-2-phenylpropyl)amino]propyl]carbamate has a molecular weight of 306.45 g/mol, XLogP of 3.47, 6 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-methyl-2-phenylpropyl)amino]propyl]carbamate is sourced from PubChem (CID 103389357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).