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

C20H30N2O2 — CID 90396978

IUPACtert-butyl N-[4-[[(1S,2R)-2-phenylcyclopropyl]amino]cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(N[C@H]2C[C@@H]2c2ccccc2)CC1
InChIInChI=1S/C20H30N2O2/c1-20(2,3)24-19(23)22-16-11-9-15(10-12-16)21-18-13-17(18)14-7-5-4-6-8-14/h4-8,15-18,21H,9-13H2,1-3H3,(H,22,23)/t15?,16?,17-,18+/m1/s1
InChIKeyIHQSWPOUPYXQNN-HIEASXQVSA-N
MW330.47 g/mol
LogP3.97
Rot. Bonds4

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

tert-butyl N-[4-[[(1S,2R)-2-phenylcyclopropyl]amino]cyclohexyl]carbamate (PubChem CID 90396978) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is tert-butyl N-[4-[[(1S,2R)-2-phenylcyclopropyl]amino]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[[(1S,2R)-2-phenylcyclopropyl]amino]cyclohexyl]carbamate
PubChem CID90396978
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Nametert-butyl N-[4-[[(1S,2R)-2-phenylcyclopropyl]amino]cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(N[C@H]2C[C@@H]2c2ccccc2)CC1
InChIInChI=1S/C20H30N2O2/c1-20(2,3)24-19(23)22-16-11-9-15(10-12-16)21-18-13-17(18)14-7-5-4-6-8-14/h4-8,15-18,21H,9-13H2,1-3H3,(H,22,23)/t15?,16?,17-,18+/m1/s1
InChIKeyIHQSWPOUPYXQNN-HIEASXQVSA-N
XLogP3.97
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[[(1S,2R)-2-phenylcyclopropyl]amino]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-[[(1S,2R)-2-phenylcyclopropyl]amino]cyclohexyl]carbamate (CID 90396978) is tert-butyl N-[4-[[(1S,2R)-2-phenylcyclopropyl]amino]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[[(1S,2R)-2-phenylcyclopropyl]amino]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[[(1S,2R)-2-phenylcyclopropyl]amino]cyclohexyl]carbamate is CC(C)(C)OC(=O)NC1CCC(N[C@H]2C[C@@H]2c2ccccc2)CC1.
What is the InChIKey of tert-butyl N-[4-[[(1S,2R)-2-phenylcyclopropyl]amino]cyclohexyl]carbamate?
The InChIKey is IHQSWPOUPYXQNN-HIEASXQVSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-20(2,3)24-19(23)22-16-11-9-15(10-12-16)21-18-13-17(18)14-7-5-4-6-8-14/h4-8,15-18,21H,9-13H2,1-3H3,(H,22,23)/t15?,16?,17-,18+/m1/s1.
What are the key properties of tert-butyl N-[4-[[(1S,2R)-2-phenylcyclopropyl]amino]cyclohexyl]carbamate?
tert-butyl N-[4-[[(1S,2R)-2-phenylcyclopropyl]amino]cyclohexyl]carbamate has a molecular weight of 330.47 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[[(1S,2R)-2-phenylcyclopropyl]amino]cyclohexyl]carbamate is sourced from PubChem (CID 90396978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).