3-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]-N,N-dimethylbenzamide

C20H25N3O4 — CID 54840849

IUPAC3-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]-N,N-dimethylbenzamide
SMILESCOCCOc1ccc(NC(=O)CNc2cccc(C(=O)N(C)C)c2)cc1
InChIInChI=1S/C20H25N3O4/c1-23(2)20(25)15-5-4-6-17(13-15)21-14-19(24)22-16-7-9-18(10-8-16)27-12-11-26-3/h4-10,13,21H,11-12,14H2,1-3H3,(H,22,24)
InChIKeyIGJSNCNNGHUNJG-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.46
Rot. Bonds9

About 3-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]-N,N-dimethylbenzamide

3-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]-N,N-dimethylbenzamide (PubChem CID 54840849) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is 3-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]-N,N-dimethylbenzamide
PubChem CID54840849
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name3-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]-N,N-dimethylbenzamide
SMILESCOCCOc1ccc(NC(=O)CNc2cccc(C(=O)N(C)C)c2)cc1
InChIInChI=1S/C20H25N3O4/c1-23(2)20(25)15-5-4-6-17(13-15)21-14-19(24)22-16-7-9-18(10-8-16)27-12-11-26-3/h4-10,13,21H,11-12,14H2,1-3H3,(H,22,24)
InChIKeyIGJSNCNNGHUNJG-UHFFFAOYSA-N
XLogP2.46
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-3-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]benzamide
CID 54840721
N,N-dimethyl-3-[[2-[4-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54840567
N-[4-(2-methoxyethoxy)phenyl]-2-(3-methylanilino)acetamide
CID 54810605
N,N-dimethyl-3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]benzamide
CID 54840880
N,N-diethyl-3-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]benzamide
CID 54832527
N,N-dimethyl-4-[[2-(3-propoxyanilino)acetyl]amino]benzamide
CID 36860927
3-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54842538
3-[[2-(3-ethoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 54840596
3-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54841219
N-benzyl-3-[[2-(4-butoxyanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 54842111
N,N-diethyl-3-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide
CID 54822926
N-(2-methoxyethyl)-3-[[2-oxo-2-(4-prop-2-enoxyanilino)ethyl]amino]benzamide
CID 54836232

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 3-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]-N,N-dimethylbenzamide (CID 54840849) is 3-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]-N,N-dimethylbenzamide is COCCOc1ccc(NC(=O)CNc2cccc(C(=O)N(C)C)c2)cc1.
What is the InChIKey of 3-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]-N,N-dimethylbenzamide?
The InChIKey is IGJSNCNNGHUNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-23(2)20(25)15-5-4-6-17(13-15)21-14-19(24)22-16-7-9-18(10-8-16)27-12-11-26-3/h4-10,13,21H,11-12,14H2,1-3H3,(H,22,24).
What are the key properties of 3-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]-N,N-dimethylbenzamide?
3-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]-N,N-dimethylbenzamide has a molecular weight of 371.44 g/mol, XLogP of 2.46, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 54840849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).