2-(4-ethylphenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide

C22H34N2O3 — CID 17014106

IUPAC2-(4-ethylphenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
SMILESCCc1ccc(OC(C)C(=O)NCC2(N3CCOCC3)CCCCC2)cc1
InChIInChI=1S/C22H34N2O3/c1-3-19-7-9-20(10-8-19)27-18(2)21(25)23-17-22(11-5-4-6-12-22)24-13-15-26-16-14-24/h7-10,18H,3-6,11-17H2,1-2H3,(H,23,25)
InChIKeyMOJUFQWKOCSMLF-UHFFFAOYSA-N
MW374.53 g/mol
LogP3.17
Rot. Bonds7

About 2-(4-ethylphenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide

2-(4-ethylphenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide (PubChem CID 17014106) has the molecular formula C22H34N2O3 and a molecular weight of 374.53 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
PubChem CID17014106
Molecular FormulaC22H34N2O3
Molecular Weight374.53 g/mol
Exact Mass374.26
IUPAC Name2-(4-ethylphenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
SMILESCCc1ccc(OC(C)C(=O)NCC2(N3CCOCC3)CCCCC2)cc1
InChIInChI=1S/C22H34N2O3/c1-3-19-7-9-20(10-8-19)27-18(2)21(25)23-17-22(11-5-4-6-12-22)24-13-15-26-16-14-24/h7-10,18H,3-6,11-17H2,1-2H3,(H,23,25)
InChIKeyMOJUFQWKOCSMLF-UHFFFAOYSA-N
XLogP3.17
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide?
The IUPAC name of 2-(4-ethylphenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide (CID 17014106) is 2-(4-ethylphenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide.
What is the SMILES notation for 2-(4-ethylphenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide?
The canonical SMILES for 2-(4-ethylphenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide is CCc1ccc(OC(C)C(=O)NCC2(N3CCOCC3)CCCCC2)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide?
The InChIKey is MOJUFQWKOCSMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O3/c1-3-19-7-9-20(10-8-19)27-18(2)21(25)23-17-22(11-5-4-6-12-22)24-13-15-26-16-14-24/h7-10,18H,3-6,11-17H2,1-2H3,(H,23,25).
What are the key properties of 2-(4-ethylphenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide?
2-(4-ethylphenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide has a molecular weight of 374.53 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide is sourced from PubChem (CID 17014106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).