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

C21H24N2O4 — CID 110352712

IUPACN-[4-(2-methylmorpholine-4-carbonyl)phenyl]-3-phenoxypropanamide
SMILESCC1CN(C(=O)c2ccc(NC(=O)CCOc3ccccc3)cc2)CCO1
InChIInChI=1S/C21H24N2O4/c1-16-15-23(12-14-26-16)21(25)17-7-9-18(10-8-17)22-20(24)11-13-27-19-5-3-2-4-6-19/h2-10,16H,11-15H2,1H3,(H,22,24)
InChIKeyJRAGHAAFVFQREJ-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.96
Rot. Bonds6

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

N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-3-phenoxypropanamide (PubChem CID 110352712) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[4-(2-methylmorpholine-4-carbonyl)phenyl]-3-phenoxypropanamide
PubChem CID110352712
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC NameN-[4-(2-methylmorpholine-4-carbonyl)phenyl]-3-phenoxypropanamide
SMILESCC1CN(C(=O)c2ccc(NC(=O)CCOc3ccccc3)cc2)CCO1
InChIInChI=1S/C21H24N2O4/c1-16-15-23(12-14-26-16)21(25)17-7-9-18(10-8-17)22-20(24)11-13-27-19-5-3-2-4-6-19/h2-10,16H,11-15H2,1H3,(H,22,24)
InChIKeyJRAGHAAFVFQREJ-UHFFFAOYSA-N
XLogP2.96
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-3-(2-methylphenyl)propanamide
CID 110671816
3-methyl-N-[4-(2-methylmorpholine-4-carbonyl)phenyl]butanamide
CID 110352683
3-cyclopropyl-N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-3-phenylpropanamide
CID 110426734
N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-4-pyridin-3-ylbutanamide
CID 110614432
[4-(methylamino)phenyl]-(2-methylmorpholin-4-yl)methanone
CID 62173081
N-(4-morpholin-4-ylphenyl)-3-phenoxypropanamide
CID 26269482
4-(3-anilino-3-oxopropoxy)benzoic acid
CID 43243922
3-(4-fluorophenyl)-N-[4-(2-methylmorpholine-4-carbonyl)phenyl]butanamide
CID 110620048
N-[4-[2-(2-methylmorpholin-4-yl)-2-oxoethoxy]phenyl]acetamide
CID 51293775
N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-3-phenoxypropanamide
CID 108737782
3-(4-chlorophenoxy)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide
CID 108741133
N-[4-(oxolan-2-ylmethylamino)phenyl]-3-phenoxypropanamide
CID 112981200

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-3-phenoxypropanamide?
The IUPAC name of N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-3-phenoxypropanamide (CID 110352712) is N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-3-phenoxypropanamide.
What is the SMILES notation for N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-3-phenoxypropanamide?
The canonical SMILES for N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-3-phenoxypropanamide is CC1CN(C(=O)c2ccc(NC(=O)CCOc3ccccc3)cc2)CCO1.
What is the InChIKey of N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-3-phenoxypropanamide?
The InChIKey is JRAGHAAFVFQREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-16-15-23(12-14-26-16)21(25)17-7-9-18(10-8-17)22-20(24)11-13-27-19-5-3-2-4-6-19/h2-10,16H,11-15H2,1H3,(H,22,24).
What are the key properties of N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-3-phenoxypropanamide?
N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-3-phenoxypropanamide has a molecular weight of 368.43 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-3-phenoxypropanamide is sourced from PubChem (CID 110352712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).