N-(4-morpholin-4-ylphenyl)-2-(3,4,5-trimethoxyanilino)acetamide

C21H27N3O5 — CID 55362335

IUPACN-(4-morpholin-4-ylphenyl)-2-(3,4,5-trimethoxyanilino)acetamide
SMILESCOc1cc(NCC(=O)Nc2ccc(N3CCOCC3)cc2)cc(OC)c1OC
InChIInChI=1S/C21H27N3O5/c1-26-18-12-16(13-19(27-2)21(18)28-3)22-14-20(25)23-15-4-6-17(7-5-15)24-8-10-29-11-9-24/h4-7,12-13,22H,8-11,14H2,1-3H3,(H,23,25)
InChIKeyYIYPBEIFCTTZQL-UHFFFAOYSA-N
MW401.46 g/mol
LogP2.60
Rot. Bonds8

About N-(4-morpholin-4-ylphenyl)-2-(3,4,5-trimethoxyanilino)acetamide

N-(4-morpholin-4-ylphenyl)-2-(3,4,5-trimethoxyanilino)acetamide (PubChem CID 55362335) has the molecular formula C21H27N3O5 and a molecular weight of 401.46 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)-2-(3,4,5-trimethoxyanilino)acetamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylphenyl)-2-(3,4,5-trimethoxyanilino)acetamide
PubChem CID55362335
Molecular FormulaC21H27N3O5
Molecular Weight401.46 g/mol
Exact Mass401.20
IUPAC NameN-(4-morpholin-4-ylphenyl)-2-(3,4,5-trimethoxyanilino)acetamide
SMILESCOc1cc(NCC(=O)Nc2ccc(N3CCOCC3)cc2)cc(OC)c1OC
InChIInChI=1S/C21H27N3O5/c1-26-18-12-16(13-19(27-2)21(18)28-3)22-14-20(25)23-15-4-6-17(7-5-15)24-8-10-29-11-9-24/h4-7,12-13,22H,8-11,14H2,1-3H3,(H,23,25)
InChIKeyYIYPBEIFCTTZQL-UHFFFAOYSA-N
XLogP2.60
TPSA81.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxy-5-methylanilino)-N-(4-morpholin-4-ylphenyl)acetamide
CID 9099925
2-(5-acetamido-2-methoxyanilino)-N-(4-morpholin-4-ylphenyl)acetamide
CID 33161192
N-(4-acetamidophenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 109010044
2-(3,4-dimethoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 109009591
2-[2-(2,6-dimethylphenoxy)anilino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 60587672
2-(ethylamino)-N-(4-morpholin-4-ylphenyl)acetamide;dihydrochloride
CID 20847919
N-(4-phenoxyphenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 55362283
N-tert-butyl-4-[[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]benzamide
CID 31699427
N-(2,4-dimorpholin-4-ylphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 4850126
2-[4-(diethylsulfamoyl)anilino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4846803
methyl 4-(4-morpholin-4-ylanilino)-4-oxobutanoate
CID 51985182
2-[(3-methoxyphenyl)methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 2404248

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylphenyl)-2-(3,4,5-trimethoxyanilino)acetamide?
The IUPAC name of N-(4-morpholin-4-ylphenyl)-2-(3,4,5-trimethoxyanilino)acetamide (CID 55362335) is N-(4-morpholin-4-ylphenyl)-2-(3,4,5-trimethoxyanilino)acetamide.
What is the SMILES notation for N-(4-morpholin-4-ylphenyl)-2-(3,4,5-trimethoxyanilino)acetamide?
The canonical SMILES for N-(4-morpholin-4-ylphenyl)-2-(3,4,5-trimethoxyanilino)acetamide is COc1cc(NCC(=O)Nc2ccc(N3CCOCC3)cc2)cc(OC)c1OC.
What is the InChIKey of N-(4-morpholin-4-ylphenyl)-2-(3,4,5-trimethoxyanilino)acetamide?
The InChIKey is YIYPBEIFCTTZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O5/c1-26-18-12-16(13-19(27-2)21(18)28-3)22-14-20(25)23-15-4-6-17(7-5-15)24-8-10-29-11-9-24/h4-7,12-13,22H,8-11,14H2,1-3H3,(H,23,25).
What are the key properties of N-(4-morpholin-4-ylphenyl)-2-(3,4,5-trimethoxyanilino)acetamide?
N-(4-morpholin-4-ylphenyl)-2-(3,4,5-trimethoxyanilino)acetamide has a molecular weight of 401.46 g/mol, XLogP of 2.60, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylphenyl)-2-(3,4,5-trimethoxyanilino)acetamide is sourced from PubChem (CID 55362335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).