N-(3,4-dimethoxyphenyl)-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide

C21H26N2O4 — CID 110612863

IUPACN-(3,4-dimethoxyphenyl)-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide
SMILESCOc1ccc(N(C)C(=O)Cc2ccc(N3CCOCC3)cc2)cc1OC
InChIInChI=1S/C21H26N2O4/c1-22(18-8-9-19(25-2)20(15-18)26-3)21(24)14-16-4-6-17(7-5-16)23-10-12-27-13-11-23/h4-9,15H,10-14H2,1-3H3
InChIKeyPBOVIZLAQQLQPA-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.75
Rot. Bonds6

About N-(3,4-dimethoxyphenyl)-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide

N-(3,4-dimethoxyphenyl)-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 110612863) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide
PubChem CID110612863
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC NameN-(3,4-dimethoxyphenyl)-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide
SMILESCOc1ccc(N(C)C(=O)Cc2ccc(N3CCOCC3)cc2)cc1OC
InChIInChI=1S/C21H26N2O4/c1-22(18-8-9-19(25-2)20(15-18)26-3)21(24)14-16-4-6-17(7-5-16)23-10-12-27-13-11-23/h4-9,15H,10-14H2,1-3H3
InChIKeyPBOVIZLAQQLQPA-UHFFFAOYSA-N
XLogP2.75
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide
CID 110626933
2-(3,4-dimethoxyphenyl)-1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)ethanone
CID 110316227
N'-(3,4-dimethoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
CID 16891687
methyl 3-(3,4-dimethoxy-N-methylanilino)-3-oxopropanoate
CID 115174204
3-(2-methoxy-5-morpholin-4-ylphenyl)propanoic acid
CID 117417021
N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-morpholin-4-ylphenyl)acetamide
CID 110427902
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylmorpholine-4-carboxamide
CID 658810
N-(3,4-dimethoxyphenyl)-N,3,3-trimethylbutanamide
CID 110425453
N'-(2,5-dimethoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
CID 16891638
2-(3,4-dimethoxyphenyl)-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 43821479
(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
CID 99951185
2-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]acetamide
CID 16889551

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide (CID 110612863) is N-(3,4-dimethoxyphenyl)-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide is COc1ccc(N(C)C(=O)Cc2ccc(N3CCOCC3)cc2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is PBOVIZLAQQLQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-22(18-8-9-19(25-2)20(15-18)26-3)21(24)14-16-4-6-17(7-5-16)23-10-12-27-13-11-23/h4-9,15H,10-14H2,1-3H3.
What are the key properties of N-(3,4-dimethoxyphenyl)-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide?
N-(3,4-dimethoxyphenyl)-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 370.45 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 110612863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).