tert-butyl N-[1-(furan-2-yl)-3-phenylmethoxypropan-2-yl]carbamate

C19H25NO4 — CID 132916154

IUPACtert-butyl N-[1-(furan-2-yl)-3-phenylmethoxypropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(COCc1ccccc1)Cc1ccco1
InChIInChI=1S/C19H25NO4/c1-19(2,3)24-18(21)20-16(12-17-10-7-11-23-17)14-22-13-15-8-5-4-6-9-15/h4-11,16H,12-14H2,1-3H3,(H,20,21)
InChIKeyPDXGFMGALTVNSG-UHFFFAOYSA-N
MW331.41 g/mol
LogP3.93
Rot. Bonds7

About tert-butyl N-[1-(furan-2-yl)-3-phenylmethoxypropan-2-yl]carbamate

tert-butyl N-[1-(furan-2-yl)-3-phenylmethoxypropan-2-yl]carbamate (PubChem CID 132916154) has the molecular formula C19H25NO4 and a molecular weight of 331.41 g/mol. Its IUPAC name is tert-butyl N-[1-(furan-2-yl)-3-phenylmethoxypropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(furan-2-yl)-3-phenylmethoxypropan-2-yl]carbamate
PubChem CID132916154
Molecular FormulaC19H25NO4
Molecular Weight331.41 g/mol
Exact Mass331.18
IUPAC Nametert-butyl N-[1-(furan-2-yl)-3-phenylmethoxypropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(COCc1ccccc1)Cc1ccco1
InChIInChI=1S/C19H25NO4/c1-19(2,3)24-18(21)20-16(12-17-10-7-11-23-17)14-22-13-15-8-5-4-6-9-15/h4-11,16H,12-14H2,1-3H3,(H,20,21)
InChIKeyPDXGFMGALTVNSG-UHFFFAOYSA-N
XLogP3.93
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(1-phenyl-3-phenylmethoxypropan-2-yl)carbamate
CID 23245831
tert-butyl N-[1-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropyl]amino]-3-phenylmethoxypropan-2-yl]carbamate
CID 66639988
(4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylmethoxypentanoic acid
CID 102427058
tert-butyl N-[(2R)-1-phenylmethoxyhexan-2-yl]carbamate
CID 130835886
(2S)-3-(furan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 2734631
tert-butyl N-[[(2S)-1-phenyl-3-phenylmethoxypropan-2-yl]amino]carbamate
CID 174718495
tert-butyl N-[4-(4-methylphenyl)-1-phenylmethoxybutan-2-yl]carbamate
CID 122389860
[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropyl]phenyl] benzenesulfonate
CID 23034546
benzyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropanoate
CID 13384474
tert-butyl N-[(1R)-1-phenyl-2-phenylmethoxyethyl]carbamate
CID 134926215
[(2R)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropoxy]-3-phenylmethoxypropan-2-yl] methanesulfonate
CID 11466597
tert-butyl N-[(2R)-1-methoxy-3-phenylpropan-2-yl]carbamate
CID 162715602

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(furan-2-yl)-3-phenylmethoxypropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(furan-2-yl)-3-phenylmethoxypropan-2-yl]carbamate (CID 132916154) is tert-butyl N-[1-(furan-2-yl)-3-phenylmethoxypropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(furan-2-yl)-3-phenylmethoxypropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(furan-2-yl)-3-phenylmethoxypropan-2-yl]carbamate is CC(C)(C)OC(=O)NC(COCc1ccccc1)Cc1ccco1.
What is the InChIKey of tert-butyl N-[1-(furan-2-yl)-3-phenylmethoxypropan-2-yl]carbamate?
The InChIKey is PDXGFMGALTVNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4/c1-19(2,3)24-18(21)20-16(12-17-10-7-11-23-17)14-22-13-15-8-5-4-6-9-15/h4-11,16H,12-14H2,1-3H3,(H,20,21).
What are the key properties of tert-butyl N-[1-(furan-2-yl)-3-phenylmethoxypropan-2-yl]carbamate?
tert-butyl N-[1-(furan-2-yl)-3-phenylmethoxypropan-2-yl]carbamate has a molecular weight of 331.41 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(furan-2-yl)-3-phenylmethoxypropan-2-yl]carbamate is sourced from PubChem (CID 132916154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).