tert-butyl N-[(1R)-1-(4-cyanophenyl)-2-phenylethyl]carbamate

C20H22N2O2 — CID 102141553

IUPACtert-butyl N-[(1R)-1-(4-cyanophenyl)-2-phenylethyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](Cc1ccccc1)c1ccc(C#N)cc1
InChIInChI=1S/C20H22N2O2/c1-20(2,3)24-19(23)22-18(13-15-7-5-4-6-8-15)17-11-9-16(14-21)10-12-17/h4-12,18H,13H2,1-3H3,(H,22,23)/t18-/m1/s1
InChIKeyHJKACVYCPPZLDR-GOSISDBHSA-N
MW322.41 g/mol
LogP4.37
Rot. Bonds4

About tert-butyl N-[(1R)-1-(4-cyanophenyl)-2-phenylethyl]carbamate

tert-butyl N-[(1R)-1-(4-cyanophenyl)-2-phenylethyl]carbamate (PubChem CID 102141553) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is tert-butyl N-[(1R)-1-(4-cyanophenyl)-2-phenylethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-1-(4-cyanophenyl)-2-phenylethyl]carbamate
PubChem CID102141553
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Nametert-butyl N-[(1R)-1-(4-cyanophenyl)-2-phenylethyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](Cc1ccccc1)c1ccc(C#N)cc1
InChIInChI=1S/C20H22N2O2/c1-20(2,3)24-19(23)22-18(13-15-7-5-4-6-8-15)17-11-9-16(14-21)10-12-17/h4-12,18H,13H2,1-3H3,(H,22,23)/t18-/m1/s1
InChIKeyHJKACVYCPPZLDR-GOSISDBHSA-N
XLogP4.37
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(1S)-1-(4-cyanophenyl)-2-hydroxyethyl]carbamate
CID 124648636
tert-butyl N-[1-(4-cyanophenyl)-2-(1H-indol-3-yl)ethyl]carbamate
CID 146168165
N-[1-(4-cyanophenyl)-2-phenylethyl]benzamide
CID 164679164
tert-butyl N-[(1S)-1-(4-cyanophenyl)ethyl]carbamate
CID 59462304
tert-butyl N-[3-[[3-(4-cyanophenyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]amino]-3-oxo-1-(4-phenylphenyl)propyl]carbamate
CID 23002655
methyl N-(1,2-diphenylethyl)carbamate
CID 139785732
tert-butyl N-[(R)-benzenesulfonyl-(4-cyanophenyl)methyl]carbamate
CID 124581087
tert-butyl N-[3-(4-cyanophenyl)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl]carbamate
CID 21070243
tert-butyl N-[(1S)-1-cyano-1-hydroxy-3-phenylpropan-2-yl]carbamate
CID 90203735
3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylmethoxyphenyl)propanoic acid
CID 2756774
tert-butyl N-[1-(cyanomethylamino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 546148
tert-butyl N-[1-(1,3,4-oxadiazol-2-yl)-2-phenylethyl]carbamate
CID 122163510

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-1-(4-cyanophenyl)-2-phenylethyl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-1-(4-cyanophenyl)-2-phenylethyl]carbamate (CID 102141553) is tert-butyl N-[(1R)-1-(4-cyanophenyl)-2-phenylethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-1-(4-cyanophenyl)-2-phenylethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-1-(4-cyanophenyl)-2-phenylethyl]carbamate is CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)c1ccc(C#N)cc1.
What is the InChIKey of tert-butyl N-[(1R)-1-(4-cyanophenyl)-2-phenylethyl]carbamate?
The InChIKey is HJKACVYCPPZLDR-GOSISDBHSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-20(2,3)24-19(23)22-18(13-15-7-5-4-6-8-15)17-11-9-16(14-21)10-12-17/h4-12,18H,13H2,1-3H3,(H,22,23)/t18-/m1/s1.
What are the key properties of tert-butyl N-[(1R)-1-(4-cyanophenyl)-2-phenylethyl]carbamate?
tert-butyl N-[(1R)-1-(4-cyanophenyl)-2-phenylethyl]carbamate has a molecular weight of 322.41 g/mol, XLogP of 4.37, 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)-1-(4-cyanophenyl)-2-phenylethyl]carbamate is sourced from PubChem (CID 102141553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).