N-(3-amino-4-morpholin-4-ylphenyl)-2-(4-propan-2-ylphenoxy)acetamide

C21H27N3O3 — CID 28688998

IUPACN-(3-amino-4-morpholin-4-ylphenyl)-2-(4-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccc(OCC(=O)Nc2ccc(N3CCOCC3)c(N)c2)cc1
InChIInChI=1S/C21H27N3O3/c1-15(2)16-3-6-18(7-4-16)27-14-21(25)23-17-5-8-20(19(22)13-17)24-9-11-26-12-10-24/h3-8,13,15H,9-12,14,22H2,1-2H3,(H,23,25)
InChIKeyXWQGBGQWSMEOMR-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.25
Rot. Bonds6

About N-(3-amino-4-morpholin-4-ylphenyl)-2-(4-propan-2-ylphenoxy)acetamide

N-(3-amino-4-morpholin-4-ylphenyl)-2-(4-propan-2-ylphenoxy)acetamide (PubChem CID 28688998) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-(3-amino-4-morpholin-4-ylphenyl)-2-(4-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-amino-4-morpholin-4-ylphenyl)-2-(4-propan-2-ylphenoxy)acetamide
PubChem CID28688998
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN-(3-amino-4-morpholin-4-ylphenyl)-2-(4-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccc(OCC(=O)Nc2ccc(N3CCOCC3)c(N)c2)cc1
InChIInChI=1S/C21H27N3O3/c1-15(2)16-3-6-18(7-4-16)27-14-21(25)23-17-5-8-20(19(22)13-17)24-9-11-26-12-10-24/h3-8,13,15H,9-12,14,22H2,1-2H3,(H,23,25)
InChIKeyXWQGBGQWSMEOMR-UHFFFAOYSA-N
XLogP3.25
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-butan-2-ylphenoxy)-N-(3-chloro-4-morpholin-4-ylphenyl)acetamide
CID 19631195
N-(3-chloro-4-morpholin-4-ylphenyl)-2-(4-methylphenoxy)acetamide
CID 1114490
methyl 5-[[2-(4-chlorophenoxy)acetyl]amino]-2-morpholin-4-ylbenzoate
CID 7328431
N-(3-bromo-4-morpholin-4-ylphenyl)-2-(4-methylphenoxy)acetamide
CID 17220794
N-(3-bromo-4-morpholin-4-ylphenyl)-2-(4-bromophenoxy)acetamide
CID 17220799
N-(3-amino-4-morpholin-4-ylphenyl)-2-methylpropanamide
CID 28688940
N-(3-amino-4-morpholin-4-ylphenyl)acetamide
CID 42560587
N-[3-chloro-4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 4593744
N-(3-amino-4-morpholin-4-ylphenyl)-2-(4-chlorophenyl)sulfanylacetamide
CID 28689034
2-(4-methylphenoxy)-N-(4-morpholin-4-yl-3-nitrophenyl)acetamide
CID 17127189
2-(4-methoxyphenoxy)-N-(4-morpholin-4-yl-3-nitrophenyl)acetamide
CID 17127200
2-(4-butan-2-ylphenoxy)-N-(2-morpholin-4-ylphenyl)acetamide
CID 2954143

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-morpholin-4-ylphenyl)-2-(4-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(3-amino-4-morpholin-4-ylphenyl)-2-(4-propan-2-ylphenoxy)acetamide (CID 28688998) is N-(3-amino-4-morpholin-4-ylphenyl)-2-(4-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(3-amino-4-morpholin-4-ylphenyl)-2-(4-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(3-amino-4-morpholin-4-ylphenyl)-2-(4-propan-2-ylphenoxy)acetamide is CC(C)c1ccc(OCC(=O)Nc2ccc(N3CCOCC3)c(N)c2)cc1.
What is the InChIKey of N-(3-amino-4-morpholin-4-ylphenyl)-2-(4-propan-2-ylphenoxy)acetamide?
The InChIKey is XWQGBGQWSMEOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-15(2)16-3-6-18(7-4-16)27-14-21(25)23-17-5-8-20(19(22)13-17)24-9-11-26-12-10-24/h3-8,13,15H,9-12,14,22H2,1-2H3,(H,23,25).
What are the key properties of N-(3-amino-4-morpholin-4-ylphenyl)-2-(4-propan-2-ylphenoxy)acetamide?
N-(3-amino-4-morpholin-4-ylphenyl)-2-(4-propan-2-ylphenoxy)acetamide has a molecular weight of 369.47 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-morpholin-4-ylphenyl)-2-(4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 28688998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).