tert-butyl N-[4-(2-hydroxyanilino)cyclohexyl]carbamate

C17H26N2O3 — CID 90064993

IUPACtert-butyl N-[4-(2-hydroxyanilino)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(Nc2ccccc2O)CC1
InChIInChI=1S/C17H26N2O3/c1-17(2,3)22-16(21)19-13-10-8-12(9-11-13)18-14-6-4-5-7-15(14)20/h4-7,12-13,18,20H,8-11H2,1-3H3,(H,19,21)
InChIKeyBWOYOJUTNXZYRY-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.64
Rot. Bonds3

About tert-butyl N-[4-(2-hydroxyanilino)cyclohexyl]carbamate

tert-butyl N-[4-(2-hydroxyanilino)cyclohexyl]carbamate (PubChem CID 90064993) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is tert-butyl N-[4-(2-hydroxyanilino)cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(2-hydroxyanilino)cyclohexyl]carbamate
PubChem CID90064993
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Nametert-butyl N-[4-(2-hydroxyanilino)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(Nc2ccccc2O)CC1
InChIInChI=1S/C17H26N2O3/c1-17(2,3)22-16(21)19-13-10-8-12(9-11-13)18-14-6-4-5-7-15(14)20/h4-7,12-13,18,20H,8-11H2,1-3H3,(H,19,21)
InChIKeyBWOYOJUTNXZYRY-UHFFFAOYSA-N
XLogP3.64
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(2-hydroxyanilino)cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-(2-hydroxyanilino)cyclohexyl]carbamate (CID 90064993) is tert-butyl N-[4-(2-hydroxyanilino)cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(2-hydroxyanilino)cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(2-hydroxyanilino)cyclohexyl]carbamate is CC(C)(C)OC(=O)NC1CCC(Nc2ccccc2O)CC1.
What is the InChIKey of tert-butyl N-[4-(2-hydroxyanilino)cyclohexyl]carbamate?
The InChIKey is BWOYOJUTNXZYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-17(2,3)22-16(21)19-13-10-8-12(9-11-13)18-14-6-4-5-7-15(14)20/h4-7,12-13,18,20H,8-11H2,1-3H3,(H,19,21).
What are the key properties of tert-butyl N-[4-(2-hydroxyanilino)cyclohexyl]carbamate?
tert-butyl N-[4-(2-hydroxyanilino)cyclohexyl]carbamate has a molecular weight of 306.41 g/mol, XLogP of 3.64, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(2-hydroxyanilino)cyclohexyl]carbamate is sourced from PubChem (CID 90064993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).