N-(4-morpholin-4-ylphenyl)-2-(4-propylphenoxy)acetamide

C21H26N2O3 — CID 987715

IUPACN-(4-morpholin-4-ylphenyl)-2-(4-propylphenoxy)acetamide
SMILESCCCc1ccc(OCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C21H26N2O3/c1-2-3-17-4-10-20(11-5-17)26-16-21(24)22-18-6-8-19(9-7-18)23-12-14-25-15-13-23/h4-11H,2-3,12-16H2,1H3,(H,22,24)
InChIKeyKWLGIXDUFAKVLZ-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.49
Rot. Bonds7

About N-(4-morpholin-4-ylphenyl)-2-(4-propylphenoxy)acetamide

N-(4-morpholin-4-ylphenyl)-2-(4-propylphenoxy)acetamide (PubChem CID 987715) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)-2-(4-propylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylphenyl)-2-(4-propylphenoxy)acetamide
PubChem CID987715
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-(4-morpholin-4-ylphenyl)-2-(4-propylphenoxy)acetamide
SMILESCCCc1ccc(OCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C21H26N2O3/c1-2-3-17-4-10-20(11-5-17)26-16-21(24)22-18-6-8-19(9-7-18)23-12-14-25-15-13-23/h4-11H,2-3,12-16H2,1H3,(H,22,24)
InChIKeyKWLGIXDUFAKVLZ-UHFFFAOYSA-N
XLogP3.49
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-morpholin-4-ylphenyl)-2-phenoxyacetamide
CID 675127
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate
CID 2523260
2-(4-aminophenoxy)-N-(4-propylphenyl)acetamide
CID 61027141
2-(4-ethylphenoxy)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 21234810
2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(4-morpholin-4-ylphenyl)acetamide
CID 25238319
2-(ethylamino)-N-(4-morpholin-4-ylphenyl)acetamide;dihydrochloride
CID 20847919
N-(4-morpholin-4-ylphenyl)pentanamide
CID 2765048
2-(4-chlorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 822273
1-[4-(4-methylpiperazin-1-yl)phenyl]-3-[(4-propylphenoxy)methyl]urea
CID 108879544
N-(4-morpholin-4-ylphenyl)-2-(2-propanoylphenoxy)acetamide
CID 2467189
2-[[2-(4-chlorophenoxy)acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4820757
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-ethoxyacetate
CID 2564028

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylphenyl)-2-(4-propylphenoxy)acetamide?
The IUPAC name of N-(4-morpholin-4-ylphenyl)-2-(4-propylphenoxy)acetamide (CID 987715) is N-(4-morpholin-4-ylphenyl)-2-(4-propylphenoxy)acetamide.
What is the SMILES notation for N-(4-morpholin-4-ylphenyl)-2-(4-propylphenoxy)acetamide?
The canonical SMILES for N-(4-morpholin-4-ylphenyl)-2-(4-propylphenoxy)acetamide is CCCc1ccc(OCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1.
What is the InChIKey of N-(4-morpholin-4-ylphenyl)-2-(4-propylphenoxy)acetamide?
The InChIKey is KWLGIXDUFAKVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-2-3-17-4-10-20(11-5-17)26-16-21(24)22-18-6-8-19(9-7-18)23-12-14-25-15-13-23/h4-11H,2-3,12-16H2,1H3,(H,22,24).
What are the key properties of N-(4-morpholin-4-ylphenyl)-2-(4-propylphenoxy)acetamide?
N-(4-morpholin-4-ylphenyl)-2-(4-propylphenoxy)acetamide has a molecular weight of 354.45 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylphenyl)-2-(4-propylphenoxy)acetamide is sourced from PubChem (CID 987715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).