N-[2-(4-morpholin-4-ylphenyl)ethyl]-3-phenoxypropanamide

C21H26N2O3 — CID 110405008

IUPACN-[2-(4-morpholin-4-ylphenyl)ethyl]-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)NCCc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C21H26N2O3/c24-21(11-15-26-20-4-2-1-3-5-20)22-12-10-18-6-8-19(9-7-18)23-13-16-25-17-14-23/h1-9H,10-17H2,(H,22,24)
InChIKeyVMQSFVRNKBNNIQ-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.65
Rot. Bonds8

About N-[2-(4-morpholin-4-ylphenyl)ethyl]-3-phenoxypropanamide

N-[2-(4-morpholin-4-ylphenyl)ethyl]-3-phenoxypropanamide (PubChem CID 110405008) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[2-(4-morpholin-4-ylphenyl)ethyl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[2-(4-morpholin-4-ylphenyl)ethyl]-3-phenoxypropanamide
PubChem CID110405008
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-[2-(4-morpholin-4-ylphenyl)ethyl]-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)NCCc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C21H26N2O3/c24-21(11-15-26-20-4-2-1-3-5-20)22-12-10-18-6-8-19(9-7-18)23-13-16-25-17-14-23/h1-9H,10-17H2,(H,22,24)
InChIKeyVMQSFVRNKBNNIQ-UHFFFAOYSA-N
XLogP2.65
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-(4-morpholin-4-ylphenyl)-3-phenoxypropanamide
CID 26269482
N-[2-(4-fluorophenyl)ethyl]-3-phenoxypropanamide
CID 110755527
N'-benzyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
CID 16891636
2-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]acetamide
CID 16889551
N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-3-phenoxypropanamide
CID 112993396
N-[2-(4-chlorophenyl)ethyl]-2-(4-morpholin-4-ylphenyl)acetamide
CID 110412816
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-phenoxypropanamide
CID 110792383
1,1-dimethyl-3-[2-(4-morpholin-4-ylphenyl)ethyl]urea
CID 110405022
3-morpholin-4-yl-N-(2-phenylethyl)propanamide
CID 779164
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-phenoxybutanamide
CID 37491143
N-[2-(1-methylpyrazol-4-yl)ethyl]-3-phenoxypropanamide
CID 47352395
3-(4-methylphenyl)-N-[2-(3-phenoxypropanoylamino)ethyl]propanamide
CID 108542327

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-morpholin-4-ylphenyl)ethyl]-3-phenoxypropanamide?
The IUPAC name of N-[2-(4-morpholin-4-ylphenyl)ethyl]-3-phenoxypropanamide (CID 110405008) is N-[2-(4-morpholin-4-ylphenyl)ethyl]-3-phenoxypropanamide.
What is the SMILES notation for N-[2-(4-morpholin-4-ylphenyl)ethyl]-3-phenoxypropanamide?
The canonical SMILES for N-[2-(4-morpholin-4-ylphenyl)ethyl]-3-phenoxypropanamide is O=C(CCOc1ccccc1)NCCc1ccc(N2CCOCC2)cc1.
What is the InChIKey of N-[2-(4-morpholin-4-ylphenyl)ethyl]-3-phenoxypropanamide?
The InChIKey is VMQSFVRNKBNNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c24-21(11-15-26-20-4-2-1-3-5-20)22-12-10-18-6-8-19(9-7-18)23-13-16-25-17-14-23/h1-9H,10-17H2,(H,22,24).
What are the key properties of N-[2-(4-morpholin-4-ylphenyl)ethyl]-3-phenoxypropanamide?
N-[2-(4-morpholin-4-ylphenyl)ethyl]-3-phenoxypropanamide has a molecular weight of 354.45 g/mol, XLogP of 2.65, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-morpholin-4-ylphenyl)ethyl]-3-phenoxypropanamide is sourced from PubChem (CID 110405008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).