tert-butyl N-[(3R)-3-methoxy-3-phenylpropoxy]carbamate

C15H23NO4 — CID 146430540

IUPACtert-butyl N-[(3R)-3-methoxy-3-phenylpropoxy]carbamate
SMILESCO[C@H](CCONC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C15H23NO4/c1-15(2,3)20-14(17)16-19-11-10-13(18-4)12-8-6-5-7-9-12/h5-9,13H,10-11H2,1-4H3,(H,16,17)/t13-/m1/s1
InChIKeyBMGHZHIWWVDQNY-CYBMUJFWSA-N
MW281.35 g/mol
LogP3.22
Rot. Bonds6

About tert-butyl N-[(3R)-3-methoxy-3-phenylpropoxy]carbamate

tert-butyl N-[(3R)-3-methoxy-3-phenylpropoxy]carbamate (PubChem CID 146430540) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is tert-butyl N-[(3R)-3-methoxy-3-phenylpropoxy]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-3-methoxy-3-phenylpropoxy]carbamate
PubChem CID146430540
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Nametert-butyl N-[(3R)-3-methoxy-3-phenylpropoxy]carbamate
SMILESCO[C@H](CCONC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C15H23NO4/c1-15(2,3)20-14(17)16-19-11-10-13(18-4)12-8-6-5-7-9-12/h5-9,13H,10-11H2,1-4H3,(H,16,17)/t13-/m1/s1
InChIKeyBMGHZHIWWVDQNY-CYBMUJFWSA-N
XLogP3.22
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 11536449
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tert-butyl N-[(3S)-3-(3-fluorophenyl)-3-hydroxypropoxy]carbamate
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tert-butyl N-[(3R)-3-(3-fluorophenyl)-3-hydroxypropoxy]carbamate
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tert-butyl N-(1-phenylbut-3-enoxy)carbamate
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tert-butyl N-[(3S)-3-(4-chlorophenyl)-3-methoxypropyl]carbamate
CID 153329637
methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoate
CID 56979796
[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl] methanesulfonate
CID 86652874
(2R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylbutanoic acid
CID 11231294
tert-butyl N-[3-(methoxyamino)-3-oxo-2-phenylpropyl]carbamate
CID 57222453
tert-butyl N-(2-hydroxy-3-phenoxypropoxy)carbamate
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tert-butyl N-(2-aminoethoxy)carbamate;hydrochloride
CID 135285194

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-3-methoxy-3-phenylpropoxy]carbamate?
The IUPAC name of tert-butyl N-[(3R)-3-methoxy-3-phenylpropoxy]carbamate (CID 146430540) is tert-butyl N-[(3R)-3-methoxy-3-phenylpropoxy]carbamate.
What is the SMILES notation for tert-butyl N-[(3R)-3-methoxy-3-phenylpropoxy]carbamate?
The canonical SMILES for tert-butyl N-[(3R)-3-methoxy-3-phenylpropoxy]carbamate is CO[C@H](CCONC(=O)OC(C)(C)C)c1ccccc1.
What is the InChIKey of tert-butyl N-[(3R)-3-methoxy-3-phenylpropoxy]carbamate?
The InChIKey is BMGHZHIWWVDQNY-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H23NO4/c1-15(2,3)20-14(17)16-19-11-10-13(18-4)12-8-6-5-7-9-12/h5-9,13H,10-11H2,1-4H3,(H,16,17)/t13-/m1/s1.
What are the key properties of tert-butyl N-[(3R)-3-methoxy-3-phenylpropoxy]carbamate?
tert-butyl N-[(3R)-3-methoxy-3-phenylpropoxy]carbamate has a molecular weight of 281.35 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-3-methoxy-3-phenylpropoxy]carbamate is sourced from PubChem (CID 146430540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).