tert-butyl N-[(3R)-6-methoxy-2,3-dihydro-1-benzofuran-3-yl]carbamate

C14H19NO4 — CID 134129728

IUPACtert-butyl N-[(3R)-6-methoxy-2,3-dihydro-1-benzofuran-3-yl]carbamate
SMILESCOc1ccc2c(c1)OC[C@@H]2NC(=O)OC(C)(C)C
InChIInChI=1S/C14H19NO4/c1-14(2,3)19-13(16)15-11-8-18-12-7-9(17-4)5-6-10(11)12/h5-7,11H,8H2,1-4H3,(H,15,16)/t11-/m0/s1
InChIKeyJTXBTUMSVHBXOH-NSHDSACASA-N
MW265.31 g/mol
LogP2.65
Rot. Bonds2

About tert-butyl N-[(3R)-6-methoxy-2,3-dihydro-1-benzofuran-3-yl]carbamate

tert-butyl N-[(3R)-6-methoxy-2,3-dihydro-1-benzofuran-3-yl]carbamate (PubChem CID 134129728) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is tert-butyl N-[(3R)-6-methoxy-2,3-dihydro-1-benzofuran-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-6-methoxy-2,3-dihydro-1-benzofuran-3-yl]carbamate
PubChem CID134129728
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Nametert-butyl N-[(3R)-6-methoxy-2,3-dihydro-1-benzofuran-3-yl]carbamate
SMILESCOc1ccc2c(c1)OC[C@@H]2NC(=O)OC(C)(C)C
InChIInChI=1S/C14H19NO4/c1-14(2,3)19-13(16)15-11-8-18-12-7-9(17-4)5-6-10(11)12/h5-7,11H,8H2,1-4H3,(H,15,16)/t11-/m0/s1
InChIKeyJTXBTUMSVHBXOH-NSHDSACASA-N
XLogP2.65
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(3S)-7-methoxy-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]carbamate
CID 143244039
6-bromo-2,3-dihydro-1-benzofuran-3-amine;tert-butyl N-(6-bromo-2,3-dihydro-1-benzofuran-3-yl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate
CID 160551656
tert-butyl N-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)carbamate
CID 144863293
tert-butyl N-[(3S)-7,8-dimethoxy-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]carbamate
CID 157046169
2-amino-N-(8-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-2-methylpropanamide
CID 110480046
6-methoxy-2,3-dihydro-1-benzofuran-3-ol
CID 63096800
tert-butyl N-[4-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]butan-2-yl]carbamate
CID 107246919
N-[(5S)-8-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]acetamide
CID 97161642
tert-butyl N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate
CID 22182075
tert-butyl N-[(3S)-6-iodo-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]carbamate
CID 139416171
tert-butyl N-[(3S,4S)-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]carbamate
CID 146234658
tert-butyl N-[2-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]propyl]carbamate
CID 107248143

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-6-methoxy-2,3-dihydro-1-benzofuran-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R)-6-methoxy-2,3-dihydro-1-benzofuran-3-yl]carbamate (CID 134129728) is tert-butyl N-[(3R)-6-methoxy-2,3-dihydro-1-benzofuran-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R)-6-methoxy-2,3-dihydro-1-benzofuran-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R)-6-methoxy-2,3-dihydro-1-benzofuran-3-yl]carbamate is COc1ccc2c(c1)OC[C@@H]2NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(3R)-6-methoxy-2,3-dihydro-1-benzofuran-3-yl]carbamate?
The InChIKey is JTXBTUMSVHBXOH-NSHDSACASA-N. The full InChI is InChI=1S/C14H19NO4/c1-14(2,3)19-13(16)15-11-8-18-12-7-9(17-4)5-6-10(11)12/h5-7,11H,8H2,1-4H3,(H,15,16)/t11-/m0/s1.
What are the key properties of tert-butyl N-[(3R)-6-methoxy-2,3-dihydro-1-benzofuran-3-yl]carbamate?
tert-butyl N-[(3R)-6-methoxy-2,3-dihydro-1-benzofuran-3-yl]carbamate has a molecular weight of 265.31 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-6-methoxy-2,3-dihydro-1-benzofuran-3-yl]carbamate is sourced from PubChem (CID 134129728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).