N-(3-ethoxypropyl)-2-(4-methylphenyl)-2-morpholin-4-ylacetamide

C18H28N2O3 — CID 4644536

IUPACN-(3-ethoxypropyl)-2-(4-methylphenyl)-2-morpholin-4-ylacetamide
SMILESCCOCCCNC(=O)C(c1ccc(C)cc1)N1CCOCC1
InChIInChI=1S/C18H28N2O3/c1-3-22-12-4-9-19-18(21)17(20-10-13-23-14-11-20)16-7-5-15(2)6-8-16/h5-8,17H,3-4,9-14H2,1-2H3,(H,19,21)
InChIKeyYLHJBVSNUZVETF-UHFFFAOYSA-N
MW320.43 g/mol
LogP1.91
Rot. Bonds8

About N-(3-ethoxypropyl)-2-(4-methylphenyl)-2-morpholin-4-ylacetamide

N-(3-ethoxypropyl)-2-(4-methylphenyl)-2-morpholin-4-ylacetamide (PubChem CID 4644536) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-(4-methylphenyl)-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-(4-methylphenyl)-2-morpholin-4-ylacetamide
PubChem CID4644536
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC NameN-(3-ethoxypropyl)-2-(4-methylphenyl)-2-morpholin-4-ylacetamide
SMILESCCOCCCNC(=O)C(c1ccc(C)cc1)N1CCOCC1
InChIInChI=1S/C18H28N2O3/c1-3-22-12-4-9-19-18(21)17(20-10-13-23-14-11-20)16-7-5-15(2)6-8-16/h5-8,17H,3-4,9-14H2,1-2H3,(H,19,21)
InChIKeyYLHJBVSNUZVETF-UHFFFAOYSA-N
XLogP1.91
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2-(4-methylphenyl)-2-morpholin-4-ylacetamide?
The IUPAC name of N-(3-ethoxypropyl)-2-(4-methylphenyl)-2-morpholin-4-ylacetamide (CID 4644536) is N-(3-ethoxypropyl)-2-(4-methylphenyl)-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-(3-ethoxypropyl)-2-(4-methylphenyl)-2-morpholin-4-ylacetamide?
The canonical SMILES for N-(3-ethoxypropyl)-2-(4-methylphenyl)-2-morpholin-4-ylacetamide is CCOCCCNC(=O)C(c1ccc(C)cc1)N1CCOCC1.
What is the InChIKey of N-(3-ethoxypropyl)-2-(4-methylphenyl)-2-morpholin-4-ylacetamide?
The InChIKey is YLHJBVSNUZVETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-3-22-12-4-9-19-18(21)17(20-10-13-23-14-11-20)16-7-5-15(2)6-8-16/h5-8,17H,3-4,9-14H2,1-2H3,(H,19,21).
What are the key properties of N-(3-ethoxypropyl)-2-(4-methylphenyl)-2-morpholin-4-ylacetamide?
N-(3-ethoxypropyl)-2-(4-methylphenyl)-2-morpholin-4-ylacetamide has a molecular weight of 320.43 g/mol, XLogP of 1.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-(4-methylphenyl)-2-morpholin-4-ylacetamide is sourced from PubChem (CID 4644536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).