2-ethyl-N-(2-methoxy-5-morpholin-4-ylphenyl)butanamide

C17H26N2O3 — CID 110359745

IUPAC2-ethyl-N-(2-methoxy-5-morpholin-4-ylphenyl)butanamide
SMILESCCC(CC)C(=O)Nc1cc(N2CCOCC2)ccc1OC
InChIInChI=1S/C17H26N2O3/c1-4-13(5-2)17(20)18-15-12-14(6-7-16(15)21-3)19-8-10-22-11-9-19/h6-7,12-13H,4-5,8-11H2,1-3H3,(H,18,20)
InChIKeyQMLVTTWWJOSCQX-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.91
Rot. Bonds6

About 2-ethyl-N-(2-methoxy-5-morpholin-4-ylphenyl)butanamide

2-ethyl-N-(2-methoxy-5-morpholin-4-ylphenyl)butanamide (PubChem CID 110359745) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-ethyl-N-(2-methoxy-5-morpholin-4-ylphenyl)butanamide.

Molecular Properties

Compound Name2-ethyl-N-(2-methoxy-5-morpholin-4-ylphenyl)butanamide
PubChem CID110359745
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name2-ethyl-N-(2-methoxy-5-morpholin-4-ylphenyl)butanamide
SMILESCCC(CC)C(=O)Nc1cc(N2CCOCC2)ccc1OC
InChIInChI=1S/C17H26N2O3/c1-4-13(5-2)17(20)18-15-12-14(6-7-16(15)21-3)19-8-10-22-11-9-19/h6-7,12-13H,4-5,8-11H2,1-3H3,(H,18,20)
InChIKeyQMLVTTWWJOSCQX-UHFFFAOYSA-N
XLogP2.91
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluorophenyl)-N-(2-methoxy-5-morpholin-4-ylphenyl)butanamide
CID 110355315
N-(2-methoxy-5-morpholin-4-ylphenyl)pentanamide
CID 110359739
2-(2-methoxy-5-morpholin-4-ylanilino)-2-sulfanylideneacetamide
CID 11254914
N-(2-methoxy-5-morpholin-4-ylphenyl)pyridine-4-carboxamide
CID 84508322
2-bromo-N-(2-methoxy-5-morpholin-4-ylphenyl)benzamide
CID 110359755
2-ethyl-N-(2-morpholin-4-ylphenyl)butanamide
CID 110756603
(2S)-2-amino-N-(2,4-dimorpholin-4-ylphenyl)butanamide;trihydrochloride
CID 119900951
2-ethyl-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide
CID 110290796
methyl 2-[[(2S)-2-aminobutanoyl]amino]-5-morpholin-4-ylbenzoate;dihydrochloride
CID 119840954
1-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]-3-(oxan-4-yl)urea
CID 110613966
2-amino-1-(2-methoxy-5-morpholin-4-ylphenyl)ethanol
CID 117384184
N-(2-methoxy-5-nitrophenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide
CID 55351428

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2-methoxy-5-morpholin-4-ylphenyl)butanamide?
The IUPAC name of 2-ethyl-N-(2-methoxy-5-morpholin-4-ylphenyl)butanamide (CID 110359745) is 2-ethyl-N-(2-methoxy-5-morpholin-4-ylphenyl)butanamide.
What is the SMILES notation for 2-ethyl-N-(2-methoxy-5-morpholin-4-ylphenyl)butanamide?
The canonical SMILES for 2-ethyl-N-(2-methoxy-5-morpholin-4-ylphenyl)butanamide is CCC(CC)C(=O)Nc1cc(N2CCOCC2)ccc1OC.
What is the InChIKey of 2-ethyl-N-(2-methoxy-5-morpholin-4-ylphenyl)butanamide?
The InChIKey is QMLVTTWWJOSCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-4-13(5-2)17(20)18-15-12-14(6-7-16(15)21-3)19-8-10-22-11-9-19/h6-7,12-13H,4-5,8-11H2,1-3H3,(H,18,20).
What are the key properties of 2-ethyl-N-(2-methoxy-5-morpholin-4-ylphenyl)butanamide?
2-ethyl-N-(2-methoxy-5-morpholin-4-ylphenyl)butanamide has a molecular weight of 306.41 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2-methoxy-5-morpholin-4-ylphenyl)butanamide is sourced from PubChem (CID 110359745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).