4-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-methylbenzamide

C20H25N3O4 — CID 54846095

IUPAC4-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-methylbenzamide
SMILESCCOCCOc1ccc(NC(=O)CNc2ccc(C(=O)NC)cc2)cc1
InChIInChI=1S/C20H25N3O4/c1-3-26-12-13-27-18-10-8-17(9-11-18)23-19(24)14-22-16-6-4-15(5-7-16)20(25)21-2/h4-11,22H,3,12-14H2,1-2H3,(H,21,25)(H,23,24)
InChIKeyHJRLOJGFXNWNDK-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.51
Rot. Bonds10

About 4-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-methylbenzamide

4-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-methylbenzamide (PubChem CID 54846095) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is 4-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-methylbenzamide
PubChem CID54846095
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name4-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-methylbenzamide
SMILESCCOCCOc1ccc(NC(=O)CNc2ccc(C(=O)NC)cc2)cc1
InChIInChI=1S/C20H25N3O4/c1-3-26-12-13-27-18-10-8-17(9-11-18)23-19(24)14-22-16-6-4-15(5-7-16)20(25)21-2/h4-11,22H,3,12-14H2,1-2H3,(H,21,25)(H,23,24)
InChIKeyHJRLOJGFXNWNDK-UHFFFAOYSA-N
XLogP2.51
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-4-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide
CID 54823116
2-(4-butoxyanilino)-N-[4-(2-ethoxyethoxy)phenyl]acetamide
CID 54820258
N-butan-2-yl-4-[[2-[4-(2-ethoxyethoxy)anilino]acetyl]amino]benzamide
CID 54825625
2-[4-(2-ethoxyethoxy)anilino]-N-methylacetamide
CID 54825412
N-[4-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]butanamide
CID 54837207
4-(2-ethoxyethoxy)-N-[4-[[4-(2-ethoxyethoxy)benzoyl]amino]phenyl]benzamide
CID 17113406
2-(4-ethoxyanilino)-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 54811661
N-(3,5-dichlorophenyl)-2-[4-(2-ethoxyethoxy)anilino]acetamide
CID 54825678
N-[4-(2-ethoxyethoxy)phenyl]-2-[4-(3-phenylpropoxy)anilino]acetamide
CID 54825460
N-[4-(2-ethoxyethoxy)phenyl]-4-propan-2-yloxybenzamide
CID 17130636
N-(3-acetamidophenyl)-2-[4-(2-ethoxyethoxy)anilino]acetamide
CID 54825386
N-ethyl-4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide
CID 54839113

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-methylbenzamide?
The IUPAC name of 4-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-methylbenzamide (CID 54846095) is 4-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-methylbenzamide.
What is the SMILES notation for 4-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-methylbenzamide?
The canonical SMILES for 4-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-methylbenzamide is CCOCCOc1ccc(NC(=O)CNc2ccc(C(=O)NC)cc2)cc1.
What is the InChIKey of 4-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-methylbenzamide?
The InChIKey is HJRLOJGFXNWNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-3-26-12-13-27-18-10-8-17(9-11-18)23-19(24)14-22-16-6-4-15(5-7-16)20(25)21-2/h4-11,22H,3,12-14H2,1-2H3,(H,21,25)(H,23,24).
What are the key properties of 4-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-methylbenzamide?
4-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-methylbenzamide has a molecular weight of 371.44 g/mol, XLogP of 2.51, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-methylbenzamide is sourced from PubChem (CID 54846095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).