2-ethyl-N-[3-(3-methylmorpholine-4-carbonyl)phenyl]butanamide

C18H26N2O3 — CID 110352840

IUPAC2-ethyl-N-[3-(3-methylmorpholine-4-carbonyl)phenyl]butanamide
SMILESCCC(CC)C(=O)Nc1cccc(C(=O)N2CCOCC2C)c1
InChIInChI=1S/C18H26N2O3/c1-4-14(5-2)17(21)19-16-8-6-7-15(11-16)18(22)20-9-10-23-12-13(20)3/h6-8,11,13-14H,4-5,9-10,12H2,1-3H3,(H,19,21)
InChIKeyMDHZULMOQOGPIN-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.92
Rot. Bonds5

About 2-ethyl-N-[3-(3-methylmorpholine-4-carbonyl)phenyl]butanamide

2-ethyl-N-[3-(3-methylmorpholine-4-carbonyl)phenyl]butanamide (PubChem CID 110352840) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-ethyl-N-[3-(3-methylmorpholine-4-carbonyl)phenyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[3-(3-methylmorpholine-4-carbonyl)phenyl]butanamide
PubChem CID110352840
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name2-ethyl-N-[3-(3-methylmorpholine-4-carbonyl)phenyl]butanamide
SMILESCCC(CC)C(=O)Nc1cccc(C(=O)N2CCOCC2C)c1
InChIInChI=1S/C18H26N2O3/c1-4-14(5-2)17(21)19-16-8-6-7-15(11-16)18(22)20-9-10-23-12-13(20)3/h6-8,11,13-14H,4-5,9-10,12H2,1-3H3,(H,19,21)
InChIKeyMDHZULMOQOGPIN-UHFFFAOYSA-N
XLogP2.92
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-N-[3-(3-methylmorpholine-4-carbonyl)phenyl]acetamide
CID 110671851
1-(3-chlorophenyl)-3-[3-(3-methylmorpholine-4-carbonyl)phenyl]urea
CID 110352872
2-(4-chlorophenyl)-N-[3-(3-methylmorpholine-4-carbonyl)phenyl]acetamide
CID 110352861
N-[3-(3-methylmorpholine-4-carbonyl)phenyl]-2-(3-methylphenyl)acetamide
CID 110671847
(3-methylmorpholin-4-yl)-[3-(propan-2-ylsulfamoylamino)phenyl]methanone
CID 110614469
N-[3-(3-methylmorpholine-4-carbonyl)phenyl]-5-oxopyrrolidine-2-carboxamide
CID 110671836
2,3,4-trifluoro-N-[3-(3-methylmorpholine-4-carbonyl)phenyl]benzamide
CID 110352884
1-[2-(2-methoxyphenyl)ethyl]-3-[3-(3-methylmorpholine-4-carbonyl)phenyl]urea
CID 110614452
(3-methylmorpholin-4-yl)-(3-phenylphenyl)methanone
CID 110292242
N-[3-(3-methylmorpholine-4-carbonyl)phenyl]-2-phenylethanesulfonamide
CID 110352919
N-[3-(3-methylmorpholine-4-carbonyl)phenyl]-1-(4-methylphenyl)methanesulfonamide
CID 110352918
[3-(cyclopentylsulfamoylamino)phenyl]-(3-methylmorpholin-4-yl)methanone
CID 110614470

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[3-(3-methylmorpholine-4-carbonyl)phenyl]butanamide?
The IUPAC name of 2-ethyl-N-[3-(3-methylmorpholine-4-carbonyl)phenyl]butanamide (CID 110352840) is 2-ethyl-N-[3-(3-methylmorpholine-4-carbonyl)phenyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[3-(3-methylmorpholine-4-carbonyl)phenyl]butanamide?
The canonical SMILES for 2-ethyl-N-[3-(3-methylmorpholine-4-carbonyl)phenyl]butanamide is CCC(CC)C(=O)Nc1cccc(C(=O)N2CCOCC2C)c1.
What is the InChIKey of 2-ethyl-N-[3-(3-methylmorpholine-4-carbonyl)phenyl]butanamide?
The InChIKey is MDHZULMOQOGPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-4-14(5-2)17(21)19-16-8-6-7-15(11-16)18(22)20-9-10-23-12-13(20)3/h6-8,11,13-14H,4-5,9-10,12H2,1-3H3,(H,19,21).
What are the key properties of 2-ethyl-N-[3-(3-methylmorpholine-4-carbonyl)phenyl]butanamide?
2-ethyl-N-[3-(3-methylmorpholine-4-carbonyl)phenyl]butanamide has a molecular weight of 318.42 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[3-(3-methylmorpholine-4-carbonyl)phenyl]butanamide is sourced from PubChem (CID 110352840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).