tert-butyl N-[(2R)-1-hydroxy-3-(3-methyl-4-phenylphenyl)propan-2-yl]carbamate

C21H27NO3 — CID 145184605

IUPACtert-butyl N-[(2R)-1-hydroxy-3-(3-methyl-4-phenylphenyl)propan-2-yl]carbamate
SMILESCc1cc(C[C@H](CO)NC(=O)OC(C)(C)C)ccc1-c1ccccc1
InChIInChI=1S/C21H27NO3/c1-15-12-16(10-11-19(15)17-8-6-5-7-9-17)13-18(14-23)22-20(24)25-21(2,3)4/h5-12,18,23H,13-14H2,1-4H3,(H,22,24)/t18-/m1/s1
InChIKeyVKKSUUFREMTULF-GOSISDBHSA-N
MW341.45 g/mol
LogP4.09
Rot. Bonds5

About tert-butyl N-[(2R)-1-hydroxy-3-(3-methyl-4-phenylphenyl)propan-2-yl]carbamate

tert-butyl N-[(2R)-1-hydroxy-3-(3-methyl-4-phenylphenyl)propan-2-yl]carbamate (PubChem CID 145184605) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-hydroxy-3-(3-methyl-4-phenylphenyl)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-hydroxy-3-(3-methyl-4-phenylphenyl)propan-2-yl]carbamate
PubChem CID145184605
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Nametert-butyl N-[(2R)-1-hydroxy-3-(3-methyl-4-phenylphenyl)propan-2-yl]carbamate
SMILESCc1cc(C[C@H](CO)NC(=O)OC(C)(C)C)ccc1-c1ccccc1
InChIInChI=1S/C21H27NO3/c1-15-12-16(10-11-19(15)17-8-6-5-7-9-17)13-18(14-23)22-20(24)25-21(2,3)4/h5-12,18,23H,13-14H2,1-4H3,(H,22,24)/t18-/m1/s1
InChIKeyVKKSUUFREMTULF-GOSISDBHSA-N
XLogP4.09
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(2R)-1-hydroxy-3-(4-phenylphenyl)propan-2-yl]carbamate
CID 71511817
tert-butyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate;sulfane
CID 159653133
tert-butyl N-[(2S)-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 15929386
tert-butyl N-[1-hydroxy-3-(4-iodophenyl)propan-2-yl]carbamate
CID 45358210
(4S)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-phenylphenyl)pentanoic acid
CID 58027482
tert-butyl N-[(2S)-1-(3-benzyl-5-fluorophenyl)-3-hydroxypropan-2-yl]carbamate
CID 58604016
tert-butyl N-[(2S)-1-(3-fluoro-4-hydroxyphenyl)-3-hydroxypropan-2-yl]carbamate
CID 70032049
tert-butyl N-[3-[4-(3-hydroxyphenyl)-3-methylphenyl]-1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate
CID 126622349
(2R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoic acid
CID 118431287
ethyl 4-[3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]benzoate
CID 67151474
(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-naphthalen-2-ylbutanoic acid
CID 7021578
[4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentan-2-yl]carbamic acid
CID 69442567

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-hydroxy-3-(3-methyl-4-phenylphenyl)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-hydroxy-3-(3-methyl-4-phenylphenyl)propan-2-yl]carbamate (CID 145184605) is tert-butyl N-[(2R)-1-hydroxy-3-(3-methyl-4-phenylphenyl)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-hydroxy-3-(3-methyl-4-phenylphenyl)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-hydroxy-3-(3-methyl-4-phenylphenyl)propan-2-yl]carbamate is Cc1cc(C[C@H](CO)NC(=O)OC(C)(C)C)ccc1-c1ccccc1.
What is the InChIKey of tert-butyl N-[(2R)-1-hydroxy-3-(3-methyl-4-phenylphenyl)propan-2-yl]carbamate?
The InChIKey is VKKSUUFREMTULF-GOSISDBHSA-N. The full InChI is InChI=1S/C21H27NO3/c1-15-12-16(10-11-19(15)17-8-6-5-7-9-17)13-18(14-23)22-20(24)25-21(2,3)4/h5-12,18,23H,13-14H2,1-4H3,(H,22,24)/t18-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-hydroxy-3-(3-methyl-4-phenylphenyl)propan-2-yl]carbamate?
tert-butyl N-[(2R)-1-hydroxy-3-(3-methyl-4-phenylphenyl)propan-2-yl]carbamate has a molecular weight of 341.45 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-hydroxy-3-(3-methyl-4-phenylphenyl)propan-2-yl]carbamate is sourced from PubChem (CID 145184605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).