N-cyclohexyl-3-(2-methoxyphenoxy)cyclobutane-1-carboxamide;propan-2-ol

C21H33NO4 — CID 142323277

IUPACN-cyclohexyl-3-(2-methoxyphenoxy)cyclobutane-1-carboxamide;propan-2-ol
SMILESCC(C)O.COc1ccccc1OC1CC(C(=O)NC2CCCCC2)C1
InChIInChI=1S/C18H25NO3.C3H8O/c1-21-16-9-5-6-10-17(16)22-15-11-13(12-15)18(20)19-14-7-3-2-4-8-14;1-3(2)4/h5-6,9-10,13-15H,2-4,7-8,11-12H2,1H3,(H,19,20);3-4H,1-2H3
InChIKeyDZADKMKSYWEYFD-UHFFFAOYSA-N
MW363.50 g/mol
LogP3.69
Rot. Bonds5

About N-cyclohexyl-3-(2-methoxyphenoxy)cyclobutane-1-carboxamide;propan-2-ol

N-cyclohexyl-3-(2-methoxyphenoxy)cyclobutane-1-carboxamide;propan-2-ol (PubChem CID 142323277) has the molecular formula C21H33NO4 and a molecular weight of 363.50 g/mol. Its IUPAC name is N-cyclohexyl-3-(2-methoxyphenoxy)cyclobutane-1-carboxamide;propan-2-ol.

Molecular Properties

Compound NameN-cyclohexyl-3-(2-methoxyphenoxy)cyclobutane-1-carboxamide;propan-2-ol
PubChem CID142323277
Molecular FormulaC21H33NO4
Molecular Weight363.50 g/mol
Exact Mass363.24
IUPAC NameN-cyclohexyl-3-(2-methoxyphenoxy)cyclobutane-1-carboxamide;propan-2-ol
SMILESCC(C)O.COc1ccccc1OC1CC(C(=O)NC2CCCCC2)C1
InChIInChI=1S/C18H25NO3.C3H8O/c1-21-16-9-5-6-10-17(16)22-15-11-13(12-15)18(20)19-14-7-3-2-4-8-14;1-3(2)4/h5-6,9-10,13-15H,2-4,7-8,11-12H2,1H3,(H,19,20);3-4H,1-2H3
InChIKeyDZADKMKSYWEYFD-UHFFFAOYSA-N
XLogP3.69
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(2-methoxyphenoxy)cyclobutane-1-carboxamide;propan-2-ol?
The IUPAC name of N-cyclohexyl-3-(2-methoxyphenoxy)cyclobutane-1-carboxamide;propan-2-ol (CID 142323277) is N-cyclohexyl-3-(2-methoxyphenoxy)cyclobutane-1-carboxamide;propan-2-ol.
What is the SMILES notation for N-cyclohexyl-3-(2-methoxyphenoxy)cyclobutane-1-carboxamide;propan-2-ol?
The canonical SMILES for N-cyclohexyl-3-(2-methoxyphenoxy)cyclobutane-1-carboxamide;propan-2-ol is CC(C)O.COc1ccccc1OC1CC(C(=O)NC2CCCCC2)C1.
What is the InChIKey of N-cyclohexyl-3-(2-methoxyphenoxy)cyclobutane-1-carboxamide;propan-2-ol?
The InChIKey is DZADKMKSYWEYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3.C3H8O/c1-21-16-9-5-6-10-17(16)22-15-11-13(12-15)18(20)19-14-7-3-2-4-8-14;1-3(2)4/h5-6,9-10,13-15H,2-4,7-8,11-12H2,1H3,(H,19,20);3-4H,1-2H3.
What are the key properties of N-cyclohexyl-3-(2-methoxyphenoxy)cyclobutane-1-carboxamide;propan-2-ol?
N-cyclohexyl-3-(2-methoxyphenoxy)cyclobutane-1-carboxamide;propan-2-ol has a molecular weight of 363.50 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(2-methoxyphenoxy)cyclobutane-1-carboxamide;propan-2-ol is sourced from PubChem (CID 142323277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).