tert-butyl N-[2-(4-phenylphenyl)cyclopropyl]carbamate

C20H23NO2 — CID 76800958

IUPACtert-butyl N-[2-(4-phenylphenyl)cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H23NO2/c1-20(2,3)23-19(22)21-18-13-17(18)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-12,17-18H,13H2,1-3H3,(H,21,22)
InChIKeyNFMTWEFPGKEYBY-UHFFFAOYSA-N
MW309.41 g/mol
LogP4.73
Rot. Bonds3

About tert-butyl N-[2-(4-phenylphenyl)cyclopropyl]carbamate

tert-butyl N-[2-(4-phenylphenyl)cyclopropyl]carbamate (PubChem CID 76800958) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is tert-butyl N-[2-(4-phenylphenyl)cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(4-phenylphenyl)cyclopropyl]carbamate
PubChem CID76800958
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Nametert-butyl N-[2-(4-phenylphenyl)cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H23NO2/c1-20(2,3)23-19(22)21-18-13-17(18)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-12,17-18H,13H2,1-3H3,(H,21,22)
InChIKeyNFMTWEFPGKEYBY-UHFFFAOYSA-N
XLogP4.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[(1S)-2-phenylcyclopropyl]carbamate
CID 58486461
tert-butyl N-[(1S,2R)-2-phenylcyclopropyl]carbamate;carbonic acid
CID 70980362
tert-butyl N-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]carbamate
CID 141045838
tert-butyl N-[(1R,2S)-2-(4-cyclopropylphenyl)cyclopropyl]carbamate
CID 86708265
tert-butyl N-[(1R,2S)-2-(4-aminophenyl)cyclopropyl]carbamate
CID 86673140
tert-butyl N-[(1R,2S)-2-(4-bromophenyl)cyclopropyl]carbamate;tert-butyl N-[(1S,2R)-2-(4-bromophenyl)cyclopropyl]carbamate
CID 172878388
tert-butyl N-[(1S,2R)-2-(4-phenylmethoxyphenyl)cyclopropyl]carbamate
CID 101043563
N-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-3-phenylbenzamide;tert-butyl N-[(1R,2S)-2-[4-[(3-phenylbenzoyl)amino]phenyl]cyclopropyl]carbamate;hydrochloride
CID 158155558
tert-butyl 2-[4-[(1S,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]phenyl]acetate
CID 134350510
tert-butyl N-[(1R,2S)-2-(4-nitrophenyl)cyclopropyl]carbamate
CID 86673141
tert-butyl N-[2-(3,4-difluorophenyl)cyclopropyl]carbamate
CID 76555314
tert-butyl N-(2-pyridin-3-ylcyclopropyl)carbamate
CID 78057434

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(4-phenylphenyl)cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[2-(4-phenylphenyl)cyclopropyl]carbamate (CID 76800958) is tert-butyl N-[2-(4-phenylphenyl)cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(4-phenylphenyl)cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(4-phenylphenyl)cyclopropyl]carbamate is CC(C)(C)OC(=O)NC1CC1c1ccc(-c2ccccc2)cc1.
What is the InChIKey of tert-butyl N-[2-(4-phenylphenyl)cyclopropyl]carbamate?
The InChIKey is NFMTWEFPGKEYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-20(2,3)23-19(22)21-18-13-17(18)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-12,17-18H,13H2,1-3H3,(H,21,22).
What are the key properties of tert-butyl N-[2-(4-phenylphenyl)cyclopropyl]carbamate?
tert-butyl N-[2-(4-phenylphenyl)cyclopropyl]carbamate has a molecular weight of 309.41 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(4-phenylphenyl)cyclopropyl]carbamate is sourced from PubChem (CID 76800958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).