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

C17H24N2O3 — CID 110352683

IUPAC3-methyl-N-[4-(2-methylmorpholine-4-carbonyl)phenyl]butanamide
SMILESCC(C)CC(=O)Nc1ccc(C(=O)N2CCOC(C)C2)cc1
InChIInChI=1S/C17H24N2O3/c1-12(2)10-16(20)18-15-6-4-14(5-7-15)17(21)19-8-9-22-13(3)11-19/h4-7,12-13H,8-11H2,1-3H3,(H,18,20)
InChIKeyXPKXXGCAOZXWCC-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.53
Rot. Bonds4

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

3-methyl-N-[4-(2-methylmorpholine-4-carbonyl)phenyl]butanamide (PubChem CID 110352683) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 3-methyl-N-[4-(2-methylmorpholine-4-carbonyl)phenyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[4-(2-methylmorpholine-4-carbonyl)phenyl]butanamide
PubChem CID110352683
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name3-methyl-N-[4-(2-methylmorpholine-4-carbonyl)phenyl]butanamide
SMILESCC(C)CC(=O)Nc1ccc(C(=O)N2CCOC(C)C2)cc1
InChIInChI=1S/C17H24N2O3/c1-12(2)10-16(20)18-15-6-4-14(5-7-15)17(21)19-8-9-22-13(3)11-19/h4-7,12-13H,8-11H2,1-3H3,(H,18,20)
InChIKeyXPKXXGCAOZXWCC-UHFFFAOYSA-N
XLogP2.53
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorophenyl)-N-[4-(2-methylmorpholine-4-carbonyl)phenyl]butanamide
CID 110620048
3-cyclopropyl-N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-3-phenylpropanamide
CID 110426734
[4-(methylamino)phenyl]-(2-methylmorpholin-4-yl)methanone
CID 62173081
3-methyl-N-[4-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]phenyl]butanamide
CID 54832093
N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-3-phenoxypropanamide
CID 110352712
N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-3-(2-methylphenyl)propanamide
CID 110671816
3-methyl-N-[4-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]phenyl]butanamide
CID 54830418
N-[4-(2-methylmorpholine-4-carbonyl)phenyl]methanesulfonamide
CID 46510193
N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-4-pyridin-3-ylbutanamide
CID 110614432
N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110671808
2-methyl-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]propanamide
CID 110352926
[(2S)-2-methylmorpholin-4-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 51710382

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-(2-methylmorpholine-4-carbonyl)phenyl]butanamide?
The IUPAC name of 3-methyl-N-[4-(2-methylmorpholine-4-carbonyl)phenyl]butanamide (CID 110352683) is 3-methyl-N-[4-(2-methylmorpholine-4-carbonyl)phenyl]butanamide.
What is the SMILES notation for 3-methyl-N-[4-(2-methylmorpholine-4-carbonyl)phenyl]butanamide?
The canonical SMILES for 3-methyl-N-[4-(2-methylmorpholine-4-carbonyl)phenyl]butanamide is CC(C)CC(=O)Nc1ccc(C(=O)N2CCOC(C)C2)cc1.
What is the InChIKey of 3-methyl-N-[4-(2-methylmorpholine-4-carbonyl)phenyl]butanamide?
The InChIKey is XPKXXGCAOZXWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-12(2)10-16(20)18-15-6-4-14(5-7-15)17(21)19-8-9-22-13(3)11-19/h4-7,12-13H,8-11H2,1-3H3,(H,18,20).
What are the key properties of 3-methyl-N-[4-(2-methylmorpholine-4-carbonyl)phenyl]butanamide?
3-methyl-N-[4-(2-methylmorpholine-4-carbonyl)phenyl]butanamide has a molecular weight of 304.39 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-(2-methylmorpholine-4-carbonyl)phenyl]butanamide is sourced from PubChem (CID 110352683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).