tert-butyl N-[(1R,2S)-2-cyano-1,2-diphenylpropyl]carbamate

C21H24N2O2 — CID 101158097

IUPACtert-butyl N-[(1R,2S)-2-cyano-1,2-diphenylpropyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](c1ccccc1)[C@@](C)(C#N)c1ccccc1
InChIInChI=1S/C21H24N2O2/c1-20(2,3)25-19(24)23-18(16-11-7-5-8-12-16)21(4,15-22)17-13-9-6-10-14-17/h5-14,18H,1-4H3,(H,23,24)/t18-,21+/m1/s1
InChIKeySVVZJFLVIFGMGP-NQIIRXRSSA-N
MW336.44 g/mol
LogP4.73
Rot. Bonds4

About tert-butyl N-[(1R,2S)-2-cyano-1,2-diphenylpropyl]carbamate

tert-butyl N-[(1R,2S)-2-cyano-1,2-diphenylpropyl]carbamate (PubChem CID 101158097) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is tert-butyl N-[(1R,2S)-2-cyano-1,2-diphenylpropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,2S)-2-cyano-1,2-diphenylpropyl]carbamate
PubChem CID101158097
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Nametert-butyl N-[(1R,2S)-2-cyano-1,2-diphenylpropyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](c1ccccc1)[C@@](C)(C#N)c1ccccc1
InChIInChI=1S/C21H24N2O2/c1-20(2,3)25-19(24)23-18(16-11-7-5-8-12-16)21(4,15-22)17-13-9-6-10-14-17/h5-14,18H,1-4H3,(H,23,24)/t18-,21+/m1/s1
InChIKeySVVZJFLVIFGMGP-NQIIRXRSSA-N
XLogP4.73
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-2,2-difluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid
CID 121412414
tert-butyl N-[(1R)-2,2-dicyano-1-phenylethyl]carbamate
CID 122398460
dimethyl 2-methyl-2-[(R)-[(2-methylpropan-2-yl)oxycarbonylamino]-phenylmethyl]propanedioate
CID 102476683
methyl (2R,3R)-2-hydroxy-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate
CID 11266852
tert-butyl N-[2-(2-cyanopropan-2-ylamino)-2-oxo-1-phenylethyl]carbamate
CID 110605601
tert-butyl N-[(1R)-1-phenylethyl]carbamate;ethane
CID 143116605
tert-butyl (2R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-nitro-3-phenylpropanoate
CID 140557328
tert-butyl N-[(1S)-1-(4-fluorophenyl)-2,2-dimethyl-3-oxo-3-phenylpropyl]carbamate
CID 134954977
tert-butyl N-[2,3-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-diphenylbutyl]carbamate
CID 15294700
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetic acid;hydrochloride
CID 13017724
tert-butyl N-(3,3-dimethyl-2-oxo-1-phenylbutyl)carbamate
CID 15864552
tert-butyl N-[(1R)-1,3-diphenylbut-3-enyl]carbamate
CID 162418431

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,2S)-2-cyano-1,2-diphenylpropyl]carbamate?
The IUPAC name of tert-butyl N-[(1R,2S)-2-cyano-1,2-diphenylpropyl]carbamate (CID 101158097) is tert-butyl N-[(1R,2S)-2-cyano-1,2-diphenylpropyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,2S)-2-cyano-1,2-diphenylpropyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,2S)-2-cyano-1,2-diphenylpropyl]carbamate is CC(C)(C)OC(=O)N[C@H](c1ccccc1)[C@@](C)(C#N)c1ccccc1.
What is the InChIKey of tert-butyl N-[(1R,2S)-2-cyano-1,2-diphenylpropyl]carbamate?
The InChIKey is SVVZJFLVIFGMGP-NQIIRXRSSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-20(2,3)25-19(24)23-18(16-11-7-5-8-12-16)21(4,15-22)17-13-9-6-10-14-17/h5-14,18H,1-4H3,(H,23,24)/t18-,21+/m1/s1.
What are the key properties of tert-butyl N-[(1R,2S)-2-cyano-1,2-diphenylpropyl]carbamate?
tert-butyl N-[(1R,2S)-2-cyano-1,2-diphenylpropyl]carbamate has a molecular weight of 336.44 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,2S)-2-cyano-1,2-diphenylpropyl]carbamate is sourced from PubChem (CID 101158097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).