tert-butyl N-(1-phenyl-3-phenylmethoxypropan-2-yl)carbamate

C21H27NO3 — CID 23245831

IUPACtert-butyl N-(1-phenyl-3-phenylmethoxypropan-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC(COCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H27NO3/c1-21(2,3)25-20(23)22-19(14-17-10-6-4-7-11-17)16-24-15-18-12-8-5-9-13-18/h4-13,19H,14-16H2,1-3H3,(H,22,23)
InChIKeyMBFFALBXZIQKHD-UHFFFAOYSA-N
MW341.45 g/mol
LogP4.34
Rot. Bonds7

About tert-butyl N-(1-phenyl-3-phenylmethoxypropan-2-yl)carbamate

tert-butyl N-(1-phenyl-3-phenylmethoxypropan-2-yl)carbamate (PubChem CID 23245831) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is tert-butyl N-(1-phenyl-3-phenylmethoxypropan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-phenyl-3-phenylmethoxypropan-2-yl)carbamate
PubChem CID23245831
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Nametert-butyl N-(1-phenyl-3-phenylmethoxypropan-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC(COCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H27NO3/c1-21(2,3)25-20(23)22-19(14-17-10-6-4-7-11-17)16-24-15-18-12-8-5-9-13-18/h4-13,19H,14-16H2,1-3H3,(H,22,23)
InChIKeyMBFFALBXZIQKHD-UHFFFAOYSA-N
XLogP4.34
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[1-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropyl]amino]-3-phenylmethoxypropan-2-yl]carbamate
CID 66639988
tert-butyl N-[[(2S)-1-phenyl-3-phenylmethoxypropan-2-yl]amino]carbamate
CID 174718495
tert-butyl N-[(2R)-1-methoxy-3-phenylpropan-2-yl]carbamate
CID 162715602
[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropyl]phenyl] benzenesulfonate
CID 23034546
(4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylmethoxypentanoic acid
CID 102427058
tert-butyl N-[1-(furan-2-yl)-3-phenylmethoxypropan-2-yl]carbamate
CID 132916154
tert-butyl N-[(2R)-1-phenylmethoxyhexan-2-yl]carbamate
CID 130835886
tert-butyl N-[(2S)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl]selanyl-3-phenylpropan-2-yl]carbamate
CID 102155876
tert-butyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate;sulfane
CID 159653133
tert-butyl N-[4-(4-methylphenyl)-1-phenylmethoxybutan-2-yl]carbamate
CID 122389860
benzyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropanoate
CID 13384474
tert-butyl N-[(1R)-1-phenyl-2-phenylmethoxyethyl]carbamate
CID 134926215

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-phenyl-3-phenylmethoxypropan-2-yl)carbamate?
The IUPAC name of tert-butyl N-(1-phenyl-3-phenylmethoxypropan-2-yl)carbamate (CID 23245831) is tert-butyl N-(1-phenyl-3-phenylmethoxypropan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-phenyl-3-phenylmethoxypropan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-phenyl-3-phenylmethoxypropan-2-yl)carbamate is CC(C)(C)OC(=O)NC(COCc1ccccc1)Cc1ccccc1.
What is the InChIKey of tert-butyl N-(1-phenyl-3-phenylmethoxypropan-2-yl)carbamate?
The InChIKey is MBFFALBXZIQKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-21(2,3)25-20(23)22-19(14-17-10-6-4-7-11-17)16-24-15-18-12-8-5-9-13-18/h4-13,19H,14-16H2,1-3H3,(H,22,23).
What are the key properties of tert-butyl N-(1-phenyl-3-phenylmethoxypropan-2-yl)carbamate?
tert-butyl N-(1-phenyl-3-phenylmethoxypropan-2-yl)carbamate has a molecular weight of 341.45 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-phenyl-3-phenylmethoxypropan-2-yl)carbamate is sourced from PubChem (CID 23245831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).