tert-butyl N-[(1R,2S)-1-(4-acetamidophenyl)-2-phenylcyclopropyl]carbamate

C22H26N2O3 — CID 118483901

IUPACtert-butyl N-[(1R,2S)-1-(4-acetamidophenyl)-2-phenylcyclopropyl]carbamate
SMILESCC(=O)Nc1ccc([C@@]2(NC(=O)OC(C)(C)C)C[C@H]2c2ccccc2)cc1
InChIInChI=1S/C22H26N2O3/c1-15(25)23-18-12-10-17(11-13-18)22(24-20(26)27-21(2,3)4)14-19(22)16-8-6-5-7-9-16/h5-13,19H,14H2,1-4H3,(H,23,25)(H,24,26)/t19-,22-/m0/s1
InChIKeyIOMCLIVHRLNEKA-UGKGYDQZSA-N
MW366.46 g/mol
LogP4.55
Rot. Bonds4

About tert-butyl N-[(1R,2S)-1-(4-acetamidophenyl)-2-phenylcyclopropyl]carbamate

tert-butyl N-[(1R,2S)-1-(4-acetamidophenyl)-2-phenylcyclopropyl]carbamate (PubChem CID 118483901) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is tert-butyl N-[(1R,2S)-1-(4-acetamidophenyl)-2-phenylcyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,2S)-1-(4-acetamidophenyl)-2-phenylcyclopropyl]carbamate
PubChem CID118483901
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Nametert-butyl N-[(1R,2S)-1-(4-acetamidophenyl)-2-phenylcyclopropyl]carbamate
SMILESCC(=O)Nc1ccc([C@@]2(NC(=O)OC(C)(C)C)C[C@H]2c2ccccc2)cc1
InChIInChI=1S/C22H26N2O3/c1-15(25)23-18-12-10-17(11-13-18)22(24-20(26)27-21(2,3)4)14-19(22)16-8-6-5-7-9-16/h5-13,19H,14H2,1-4H3,(H,23,25)(H,24,26)/t19-,22-/m0/s1
InChIKeyIOMCLIVHRLNEKA-UGKGYDQZSA-N
XLogP4.55
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-acetamidophenyl)-2-phenylcyclopropyl]carbamic acid
CID 90204150
tert-butyl N-[(1R,2S)-1-(4-nitrophenyl)-2-phenylcyclopropyl]carbamate
CID 118483831
[1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropanecarbonyl]oxidanium
CID 145300620
cis-(1S,2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropane-1-carboxylic acid
CID 7009514
trans-(1S,2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropane-1-carboxylic acid
CID 7009512
tert-butyl N-[(1R,2R)-1-ethyl-2-phenylcyclopropyl]carbamate
CID 118483818
trans-methyl (1S,2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropane-1-carboxylate
CID 10946226
cis-(1S,2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclohexane-1-carboxylic acid
CID 101367353
tert-butyl pyrrolidine-1-carboxylate;N-phenylacetamide
CID 162081451
tert-butyl N-[2-oxo-3-(1-phenylethyl)-3-azabicyclo[3.1.0]hexan-1-yl]carbamate
CID 144619198
tert-butyl (1S,2R,3R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylcyclopropane-1-carboxylate
CID 67524570
tert-butyl N-phenylcarbamate;ethane;molecular hydrogen
CID 143200199

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,2S)-1-(4-acetamidophenyl)-2-phenylcyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[(1R,2S)-1-(4-acetamidophenyl)-2-phenylcyclopropyl]carbamate (CID 118483901) is tert-butyl N-[(1R,2S)-1-(4-acetamidophenyl)-2-phenylcyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,2S)-1-(4-acetamidophenyl)-2-phenylcyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,2S)-1-(4-acetamidophenyl)-2-phenylcyclopropyl]carbamate is CC(=O)Nc1ccc([C@@]2(NC(=O)OC(C)(C)C)C[C@H]2c2ccccc2)cc1.
What is the InChIKey of tert-butyl N-[(1R,2S)-1-(4-acetamidophenyl)-2-phenylcyclopropyl]carbamate?
The InChIKey is IOMCLIVHRLNEKA-UGKGYDQZSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-15(25)23-18-12-10-17(11-13-18)22(24-20(26)27-21(2,3)4)14-19(22)16-8-6-5-7-9-16/h5-13,19H,14H2,1-4H3,(H,23,25)(H,24,26)/t19-,22-/m0/s1.
What are the key properties of tert-butyl N-[(1R,2S)-1-(4-acetamidophenyl)-2-phenylcyclopropyl]carbamate?
tert-butyl N-[(1R,2S)-1-(4-acetamidophenyl)-2-phenylcyclopropyl]carbamate has a molecular weight of 366.46 g/mol, XLogP of 4.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,2S)-1-(4-acetamidophenyl)-2-phenylcyclopropyl]carbamate is sourced from PubChem (CID 118483901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).