N-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-4-phenoxybutanamide

C22H28N2O3 — CID 110637540

IUPACN-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-4-phenoxybutanamide
SMILESCC1COCC(C)N1c1ccc(NC(=O)CCCOc2ccccc2)cc1
InChIInChI=1S/C22H28N2O3/c1-17-15-26-16-18(2)24(17)20-12-10-19(11-13-20)23-22(25)9-6-14-27-21-7-4-3-5-8-21/h3-5,7-8,10-13,17-18H,6,9,14-16H2,1-2H3,(H,23,25)
InChIKeyPMRUUJDEUBEIGO-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.10
Rot. Bonds7

About N-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-4-phenoxybutanamide

N-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-4-phenoxybutanamide (PubChem CID 110637540) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-4-phenoxybutanamide.

Molecular Properties

Compound NameN-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-4-phenoxybutanamide
PubChem CID110637540
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-4-phenoxybutanamide
SMILESCC1COCC(C)N1c1ccc(NC(=O)CCCOc2ccccc2)cc1
InChIInChI=1S/C22H28N2O3/c1-17-15-26-16-18(2)24(17)20-12-10-19(11-13-20)23-22(25)9-6-14-27-21-7-4-3-5-8-21/h3-5,7-8,10-13,17-18H,6,9,14-16H2,1-2H3,(H,23,25)
InChIKeyPMRUUJDEUBEIGO-UHFFFAOYSA-N
XLogP4.10
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-phenoxybutanoylamino)oxolane-3-carboxylic acid
CID 66221172
N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-4-phenoxybutanamide
CID 110288064
4-phenoxy-N-(4-pyrazol-1-ylphenyl)butanamide
CID 31907161
N-(4-morpholin-4-ylphenyl)-3-phenoxypropanamide
CID 26269482
N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]-4-phenoxybutanamide
CID 110666646
4-phenoxy-N-(4-propan-2-ylphenyl)butanamide
CID 21367289
N-[4-(methanesulfonamido)phenyl]-4-phenoxybutanamide
CID 30784558
N-[4-(4-phenoxybutanoylamino)phenyl]furan-2-carboxamide
CID 30907632
5-oxo-5-[4-(2-phenoxyethoxy)anilino]pentanoic acid
CID 4958221
N-[4-(methylsulfamoyl)phenyl]-4-phenoxybutanamide
CID 9219640
N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-3-phenoxypropanamide
CID 108737782
N-[4-(difluoromethoxy)phenyl]-4-phenoxybutanamide
CID 112793225

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-4-phenoxybutanamide?
The IUPAC name of N-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-4-phenoxybutanamide (CID 110637540) is N-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-4-phenoxybutanamide.
What is the SMILES notation for N-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-4-phenoxybutanamide?
The canonical SMILES for N-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-4-phenoxybutanamide is CC1COCC(C)N1c1ccc(NC(=O)CCCOc2ccccc2)cc1.
What is the InChIKey of N-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-4-phenoxybutanamide?
The InChIKey is PMRUUJDEUBEIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-17-15-26-16-18(2)24(17)20-12-10-19(11-13-20)23-22(25)9-6-14-27-21-7-4-3-5-8-21/h3-5,7-8,10-13,17-18H,6,9,14-16H2,1-2H3,(H,23,25).
What are the key properties of N-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-4-phenoxybutanamide?
N-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-4-phenoxybutanamide has a molecular weight of 368.48 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-4-phenoxybutanamide is sourced from PubChem (CID 110637540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).