tert-butyl N-[4-(4-formylphenoxy)cyclohexyl]carbamate

C18H25NO4 — CID 164574099

IUPACtert-butyl N-[4-(4-formylphenoxy)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(Oc2ccc(C=O)cc2)CC1
InChIInChI=1S/C18H25NO4/c1-18(2,3)23-17(21)19-14-6-10-16(11-7-14)22-15-8-4-13(12-20)5-9-15/h4-5,8-9,12,14,16H,6-7,10-11H2,1-3H3,(H,19,21)
InChIKeyOPJJCHFXQHMJPT-UHFFFAOYSA-N
MW319.40 g/mol
LogP3.71
Rot. Bonds4

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

tert-butyl N-[4-(4-formylphenoxy)cyclohexyl]carbamate (PubChem CID 164574099) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is tert-butyl N-[4-(4-formylphenoxy)cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(4-formylphenoxy)cyclohexyl]carbamate
PubChem CID164574099
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Nametert-butyl N-[4-(4-formylphenoxy)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(Oc2ccc(C=O)cc2)CC1
InChIInChI=1S/C18H25NO4/c1-18(2,3)23-17(21)19-14-6-10-16(11-7-14)22-15-8-4-13(12-20)5-9-15/h4-5,8-9,12,14,16H,6-7,10-11H2,1-3H3,(H,19,21)
InChIKeyOPJJCHFXQHMJPT-UHFFFAOYSA-N
XLogP3.71
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-cyclopropyloxybenzaldehyde
CID 71423039
tert-butyl (3S)-3-(4-formylphenoxy)pyrrolidine-1-carboxylate
CID 11779039
tert-butyl N-[1-(4-formylphenyl)pyrrolidin-3-yl]carbamate
CID 91755325
tert-butyl N-[(3R)-1-(4-formylphenyl)piperidin-3-yl]carbamate
CID 124678829
tert-butyl N-[4-(2-hydroxyanilino)cyclohexyl]carbamate
CID 90064993
tert-butyl N-[(1R,3R)-3-[(6-bromo-3-pyridinyl)oxy]cyclopentyl]carbamate
CID 169188311
tert-butyl N-(4-aminooxycyclohexyl)carbamate
CID 22408668
tert-butyl 4-[4-[(E)-3-oxoprop-1-enyl]phenoxy]piperidine-1-carboxylate
CID 142898406
tert-butyl N-[4-[(2-morpholin-4-yl-4-pyridinyl)oxy]cyclohexyl]carbamate
CID 126674600
tert-butyl N-cyclopropylcarbamate;ethene;ethyl formate
CID 143611566
acetylene;tert-butyl N-cyclopropylcarbamate;ethyl formate
CID 143394124
4-cyclopentyloxybenzaldehyde
CID 3152724

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(4-formylphenoxy)cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-(4-formylphenoxy)cyclohexyl]carbamate (CID 164574099) is tert-butyl N-[4-(4-formylphenoxy)cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(4-formylphenoxy)cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(4-formylphenoxy)cyclohexyl]carbamate is CC(C)(C)OC(=O)NC1CCC(Oc2ccc(C=O)cc2)CC1.
What is the InChIKey of tert-butyl N-[4-(4-formylphenoxy)cyclohexyl]carbamate?
The InChIKey is OPJJCHFXQHMJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO4/c1-18(2,3)23-17(21)19-14-6-10-16(11-7-14)22-15-8-4-13(12-20)5-9-15/h4-5,8-9,12,14,16H,6-7,10-11H2,1-3H3,(H,19,21).
What are the key properties of tert-butyl N-[4-(4-formylphenoxy)cyclohexyl]carbamate?
tert-butyl N-[4-(4-formylphenoxy)cyclohexyl]carbamate has a molecular weight of 319.40 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(4-formylphenoxy)cyclohexyl]carbamate is sourced from PubChem (CID 164574099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).