tert-butyl N-[(2R)-1-[(3-methoxyphenyl)methoxy]propan-2-yl]carbamate

C16H25NO4 — CID 71077122

IUPACtert-butyl N-[(2R)-1-[(3-methoxyphenyl)methoxy]propan-2-yl]carbamate
SMILESCOc1cccc(COC[C@@H](C)NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C16H25NO4/c1-12(17-15(18)21-16(2,3)4)10-20-11-13-7-6-8-14(9-13)19-5/h6-9,12H,10-11H2,1-5H3,(H,17,18)/t12-/m1/s1
InChIKeyXKYWENHVCLIVNP-GFCCVEGCSA-N
MW295.38 g/mol
LogP3.12
Rot. Bonds6

About tert-butyl N-[(2R)-1-[(3-methoxyphenyl)methoxy]propan-2-yl]carbamate

tert-butyl N-[(2R)-1-[(3-methoxyphenyl)methoxy]propan-2-yl]carbamate (PubChem CID 71077122) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-[(3-methoxyphenyl)methoxy]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-[(3-methoxyphenyl)methoxy]propan-2-yl]carbamate
PubChem CID71077122
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Nametert-butyl N-[(2R)-1-[(3-methoxyphenyl)methoxy]propan-2-yl]carbamate
SMILESCOc1cccc(COC[C@@H](C)NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C16H25NO4/c1-12(17-15(18)21-16(2,3)4)10-20-11-13-7-6-8-14(9-13)19-5/h6-9,12H,10-11H2,1-5H3,(H,17,18)/t12-/m1/s1
InChIKeyXKYWENHVCLIVNP-GFCCVEGCSA-N
XLogP3.12
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(2R)-1-[(4-fluorophenyl)methoxy]propan-2-yl]carbamate
CID 66706655
methyl 3-[(3-methoxyphenyl)methoxy]-2-methylpropanoate
CID 43537941
tert-butyl N-[1-amino-3-(3-methoxyphenyl)propan-2-yl]carbamate
CID 84730445
tert-butyl N-[(1R)-1-(3-methoxyphenyl)ethyl]carbamate
CID 56955216
tert-butyl N-[(2R)-1-phenoxypropan-2-yl]carbamate
CID 10586857
(2S)-2-[(3-methoxyphenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 25417738
2-acetamido-3-[(3-methoxyphenyl)methoxy]propanoic acid
CID 65443170
(3-methoxyphenyl)methyl N-propan-2-ylcarbamate
CID 23548690
(3R)-3-[[2-[(3-methoxyphenyl)methoxy]acetyl]amino]butanoic acid
CID 97234234
[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl] N,N-dimethylcarbamate
CID 10860245
1-(3-methoxyphenyl)propan-2-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 145115605
tert-butyl N-[(1R)-1-(butylamino)-2-(3-methoxyphenyl)ethyl]carbamate
CID 155138107

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-[(3-methoxyphenyl)methoxy]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-[(3-methoxyphenyl)methoxy]propan-2-yl]carbamate (CID 71077122) is tert-butyl N-[(2R)-1-[(3-methoxyphenyl)methoxy]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-[(3-methoxyphenyl)methoxy]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-[(3-methoxyphenyl)methoxy]propan-2-yl]carbamate is COc1cccc(COC[C@@H](C)NC(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl N-[(2R)-1-[(3-methoxyphenyl)methoxy]propan-2-yl]carbamate?
The InChIKey is XKYWENHVCLIVNP-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H25NO4/c1-12(17-15(18)21-16(2,3)4)10-20-11-13-7-6-8-14(9-13)19-5/h6-9,12H,10-11H2,1-5H3,(H,17,18)/t12-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-[(3-methoxyphenyl)methoxy]propan-2-yl]carbamate?
tert-butyl N-[(2R)-1-[(3-methoxyphenyl)methoxy]propan-2-yl]carbamate has a molecular weight of 295.38 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-[(3-methoxyphenyl)methoxy]propan-2-yl]carbamate is sourced from PubChem (CID 71077122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).