N-(2-methoxyethyl)-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide

C20H24N4O4 — CID 54846451

IUPACN-(2-methoxyethyl)-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide
SMILESCNC(=O)c1ccc(NCC(=O)Nc2cccc(C(=O)NCCOC)c2)cc1
InChIInChI=1S/C20H24N4O4/c1-21-19(26)14-6-8-16(9-7-14)23-13-18(25)24-17-5-3-4-15(12-17)20(27)22-10-11-28-2/h3-9,12,23H,10-11,13H2,1-2H3,(H,21,26)(H,22,27)(H,24,25)
InChIKeyGHASJSSJQFVPCC-UHFFFAOYSA-N
MW384.44 g/mol
LogP1.47
Rot. Bonds9

About N-(2-methoxyethyl)-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide

N-(2-methoxyethyl)-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide (PubChem CID 54846451) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide
PubChem CID54846451
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC NameN-(2-methoxyethyl)-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide
SMILESCNC(=O)c1ccc(NCC(=O)Nc2cccc(C(=O)NCCOC)c2)cc1
InChIInChI=1S/C20H24N4O4/c1-21-19(26)14-6-8-16(9-7-14)23-13-18(25)24-17-5-3-4-15(12-17)20(27)22-10-11-28-2/h3-9,12,23H,10-11,13H2,1-2H3,(H,21,26)(H,22,27)(H,24,25)
InChIKeyGHASJSSJQFVPCC-UHFFFAOYSA-N
XLogP1.47
TPSA108.56 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 51.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[[2-[3-(2-methoxyethylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate
CID 54817106
N-methyl-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54846159
3-[[2-[4-(diethylcarbamoyl)anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 54833883
N,N-diethyl-3-[[2-[4-(2-methoxyethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54836242
methyl 4-[[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate
CID 33159218
3-[[2-[4-(cyclohexylcarbamoyl)anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 54844067
4-[[2-[3-(2,2-dimethylpropanoylamino)anilino]-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54835985
3-[[2-[4-(2-methoxyethylcarbamoyl)anilino]acetyl]amino]-N,N-dipropylbenzamide
CID 54835986
4-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836331
N-(2-methoxyethyl)-3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54834227
N-tert-butyl-3-[[2-[3-(2-methoxyethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844392
3-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836164

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide?
The IUPAC name of N-(2-methoxyethyl)-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide (CID 54846451) is N-(2-methoxyethyl)-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide?
The canonical SMILES for N-(2-methoxyethyl)-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide is CNC(=O)c1ccc(NCC(=O)Nc2cccc(C(=O)NCCOC)c2)cc1.
What is the InChIKey of N-(2-methoxyethyl)-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide?
The InChIKey is GHASJSSJQFVPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-21-19(26)14-6-8-16(9-7-14)23-13-18(25)24-17-5-3-4-15(12-17)20(27)22-10-11-28-2/h3-9,12,23H,10-11,13H2,1-2H3,(H,21,26)(H,22,27)(H,24,25).
What are the key properties of N-(2-methoxyethyl)-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide?
N-(2-methoxyethyl)-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide has a molecular weight of 384.44 g/mol, XLogP of 1.47, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide is sourced from PubChem (CID 54846451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).