tert-butyl N-[2-[4-(2-methoxyethyl)phenyl]propyl]carbamate

C17H27NO3 — CID 174316953

IUPACtert-butyl N-[2-[4-(2-methoxyethyl)phenyl]propyl]carbamate
SMILESCOCCc1ccc(C(C)CNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C17H27NO3/c1-13(12-18-16(19)21-17(2,3)4)15-8-6-14(7-9-15)10-11-20-5/h6-9,13H,10-12H2,1-5H3,(H,18,19)
InChIKeyJHYJUFUQSPXQIX-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.50
Rot. Bonds6

About tert-butyl N-[2-[4-(2-methoxyethyl)phenyl]propyl]carbamate

tert-butyl N-[2-[4-(2-methoxyethyl)phenyl]propyl]carbamate (PubChem CID 174316953) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is tert-butyl N-[2-[4-(2-methoxyethyl)phenyl]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[4-(2-methoxyethyl)phenyl]propyl]carbamate
PubChem CID174316953
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Nametert-butyl N-[2-[4-(2-methoxyethyl)phenyl]propyl]carbamate
SMILESCOCCc1ccc(C(C)CNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C17H27NO3/c1-13(12-18-16(19)21-17(2,3)4)15-8-6-14(7-9-15)10-11-20-5/h6-9,13H,10-12H2,1-5H3,(H,18,19)
InChIKeyJHYJUFUQSPXQIX-UHFFFAOYSA-N
XLogP3.50
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(2S)-2-(4-hydroxyphenyl)propyl]carbamate
CID 129383215
methyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]benzoate
CID 139368736
tert-butyl N-[(4-propan-2-ylphenyl)methyl]carbamate
CID 20739774
methyl N-[2-(4-butan-2-ylphenyl)ethyl]carbamate
CID 115190710
tert-butyl N-[2-(2-methoxyethylamino)propyl]carbamate
CID 103386968
methyl 2-[4-(hydroxymethyl)phenyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 66599860
methyl 2-[4-(aminomethyl)phenyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 176719173
3-[4-[1,2-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl]propanoic acid
CID 170832678
tert-butyl N-[4-oxo-4-[[(2S)-2-phenylpropyl]amino]butyl]carbamate
CID 9427328
tert-butyl N-[2-[4-(2-hydroxyethyl)phenyl]ethyl]carbamate
CID 91185994
tert-butyl N-[2-[4-(hydroxymethyl)phenyl]ethyl]carbamate
CID 22337080
methyl 3-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl]propanoate
CID 141484453

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[4-(2-methoxyethyl)phenyl]propyl]carbamate?
The IUPAC name of tert-butyl N-[2-[4-(2-methoxyethyl)phenyl]propyl]carbamate (CID 174316953) is tert-butyl N-[2-[4-(2-methoxyethyl)phenyl]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[4-(2-methoxyethyl)phenyl]propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[4-(2-methoxyethyl)phenyl]propyl]carbamate is COCCc1ccc(C(C)CNC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[2-[4-(2-methoxyethyl)phenyl]propyl]carbamate?
The InChIKey is JHYJUFUQSPXQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-13(12-18-16(19)21-17(2,3)4)15-8-6-14(7-9-15)10-11-20-5/h6-9,13H,10-12H2,1-5H3,(H,18,19).
What are the key properties of tert-butyl N-[2-[4-(2-methoxyethyl)phenyl]propyl]carbamate?
tert-butyl N-[2-[4-(2-methoxyethyl)phenyl]propyl]carbamate has a molecular weight of 293.41 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[4-(2-methoxyethyl)phenyl]propyl]carbamate is sourced from PubChem (CID 174316953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).