5-(2,5-dimethylphenoxy)-N-[1-(4-morpholin-4-ylphenyl)ethyl]pentanamide

C25H34N2O3 — CID 48664800

IUPAC5-(2,5-dimethylphenoxy)-N-[1-(4-morpholin-4-ylphenyl)ethyl]pentanamide
SMILESCc1ccc(C)c(OCCCCC(=O)NC(C)c2ccc(N3CCOCC3)cc2)c1
InChIInChI=1S/C25H34N2O3/c1-19-7-8-20(2)24(18-19)30-15-5-4-6-25(28)26-21(3)22-9-11-23(12-10-22)27-13-16-29-17-14-27/h7-12,18,21H,4-6,13-17H2,1-3H3,(H,26,28)
InChIKeyRYLYWTYZJASPFE-UHFFFAOYSA-N
MW410.56 g/mol
LogP4.57
Rot. Bonds9

About 5-(2,5-dimethylphenoxy)-N-[1-(4-morpholin-4-ylphenyl)ethyl]pentanamide

5-(2,5-dimethylphenoxy)-N-[1-(4-morpholin-4-ylphenyl)ethyl]pentanamide (PubChem CID 48664800) has the molecular formula C25H34N2O3 and a molecular weight of 410.56 g/mol. Its IUPAC name is 5-(2,5-dimethylphenoxy)-N-[1-(4-morpholin-4-ylphenyl)ethyl]pentanamide.

Molecular Properties

Compound Name5-(2,5-dimethylphenoxy)-N-[1-(4-morpholin-4-ylphenyl)ethyl]pentanamide
PubChem CID48664800
Molecular FormulaC25H34N2O3
Molecular Weight410.56 g/mol
Exact Mass410.26
IUPAC Name5-(2,5-dimethylphenoxy)-N-[1-(4-morpholin-4-ylphenyl)ethyl]pentanamide
SMILESCc1ccc(C)c(OCCCCC(=O)NC(C)c2ccc(N3CCOCC3)cc2)c1
InChIInChI=1S/C25H34N2O3/c1-19-7-8-20(2)24(18-19)30-15-5-4-6-25(28)26-21(3)22-9-11-23(12-10-22)27-13-16-29-17-14-27/h7-12,18,21H,4-6,13-17H2,1-3H3,(H,26,28)
InChIKeyRYLYWTYZJASPFE-UHFFFAOYSA-N
XLogP4.57
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2,5-dimethylphenoxy)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 18160079
(2S)-2-[5-(2,5-dimethylphenoxy)pentanoylamino]-3-methylbutanoic acid
CID 119359679
4-[4-(2,5-dimethylphenoxy)butyl]morpholine
CID 2245898
2-(2,5-dimethylphenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
CID 53282901
3-[2-(2,5-dimethylphenoxy)ethylsulfanyl]-N-(1-phenylethyl)propanamide
CID 42883601
2-[(3-methylphenyl)carbamoylamino]-N-[1-(4-morpholin-4-ylphenyl)ethyl]acetamide
CID 48681572
3-(2,5-dimethylphenoxy)-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
CID 30770544
4-methyl-3-morpholin-4-yl-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzamide
CID 46977369
(E)-3-(3-methylphenyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]prop-2-enamide
CID 48664048
2-[[2-(2,5-dimethylphenoxy)acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 7551228
4-methoxy-N-[1-(4-morpholin-4-ylphenyl)ethyl]pyridine-2-carboxamide
CID 166208501
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-3-(2,5-dimethylphenoxy)propanamide
CID 7669743

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylphenoxy)-N-[1-(4-morpholin-4-ylphenyl)ethyl]pentanamide?
The IUPAC name of 5-(2,5-dimethylphenoxy)-N-[1-(4-morpholin-4-ylphenyl)ethyl]pentanamide (CID 48664800) is 5-(2,5-dimethylphenoxy)-N-[1-(4-morpholin-4-ylphenyl)ethyl]pentanamide.
What is the SMILES notation for 5-(2,5-dimethylphenoxy)-N-[1-(4-morpholin-4-ylphenyl)ethyl]pentanamide?
The canonical SMILES for 5-(2,5-dimethylphenoxy)-N-[1-(4-morpholin-4-ylphenyl)ethyl]pentanamide is Cc1ccc(C)c(OCCCCC(=O)NC(C)c2ccc(N3CCOCC3)cc2)c1.
What is the InChIKey of 5-(2,5-dimethylphenoxy)-N-[1-(4-morpholin-4-ylphenyl)ethyl]pentanamide?
The InChIKey is RYLYWTYZJASPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O3/c1-19-7-8-20(2)24(18-19)30-15-5-4-6-25(28)26-21(3)22-9-11-23(12-10-22)27-13-16-29-17-14-27/h7-12,18,21H,4-6,13-17H2,1-3H3,(H,26,28).
What are the key properties of 5-(2,5-dimethylphenoxy)-N-[1-(4-morpholin-4-ylphenyl)ethyl]pentanamide?
5-(2,5-dimethylphenoxy)-N-[1-(4-morpholin-4-ylphenyl)ethyl]pentanamide has a molecular weight of 410.56 g/mol, XLogP of 4.57, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylphenoxy)-N-[1-(4-morpholin-4-ylphenyl)ethyl]pentanamide is sourced from PubChem (CID 48664800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).