N,N-diethyl-3-[[2-[4-(2-methoxyethylcarbamoyl)anilino]acetyl]amino]benzamide

C23H30N4O4 — CID 54836242

IUPACN,N-diethyl-3-[[2-[4-(2-methoxyethylcarbamoyl)anilino]acetyl]amino]benzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)CNc2ccc(C(=O)NCCOC)cc2)c1
InChIInChI=1S/C23H30N4O4/c1-4-27(5-2)23(30)18-7-6-8-20(15-18)26-21(28)16-25-19-11-9-17(10-12-19)22(29)24-13-14-31-3/h6-12,15,25H,4-5,13-14,16H2,1-3H3,(H,24,29)(H,26,28)
InChIKeyKJHXMYJYFVELNZ-UHFFFAOYSA-N
MW426.52 g/mol
LogP2.60
Rot. Bonds11

About N,N-diethyl-3-[[2-[4-(2-methoxyethylcarbamoyl)anilino]acetyl]amino]benzamide

N,N-diethyl-3-[[2-[4-(2-methoxyethylcarbamoyl)anilino]acetyl]amino]benzamide (PubChem CID 54836242) has the molecular formula C23H30N4O4 and a molecular weight of 426.52 g/mol. Its IUPAC name is N,N-diethyl-3-[[2-[4-(2-methoxyethylcarbamoyl)anilino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-3-[[2-[4-(2-methoxyethylcarbamoyl)anilino]acetyl]amino]benzamide
PubChem CID54836242
Molecular FormulaC23H30N4O4
Molecular Weight426.52 g/mol
Exact Mass426.23
IUPAC NameN,N-diethyl-3-[[2-[4-(2-methoxyethylcarbamoyl)anilino]acetyl]amino]benzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)CNc2ccc(C(=O)NCCOC)cc2)c1
InChIInChI=1S/C23H30N4O4/c1-4-27(5-2)23(30)18-7-6-8-20(15-18)26-21(28)16-25-19-11-9-17(10-12-19)22(29)24-13-14-31-3/h6-12,15,25H,4-5,13-14,16H2,1-3H3,(H,24,29)(H,26,28)
InChIKeyKJHXMYJYFVELNZ-UHFFFAOYSA-N
XLogP2.60
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 52.60
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

3-[[2-[4-(diethylcarbamoyl)anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 54833883
3-[[2-[4-(2-methoxyethylcarbamoyl)anilino]acetyl]amino]-N,N-dipropylbenzamide
CID 54835986
N-(2-methoxyethyl)-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54846451
methyl 4-[[2-[3-(2-methoxyethylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate
CID 54817106
3-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 54811092
4-[[2-[3-(2,2-dimethylpropanoylamino)anilino]-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54835985
N-(2-methoxyethyl)-4-[[2-oxo-2-(3-propoxyanilino)ethyl]amino]benzamide
CID 54836110
3-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-ethylbenzamide
CID 54837721
4-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836331
N,N-diethyl-4-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]benzamide
CID 54833942
4-[[2-(3-butoxyanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836079
N-(2-methoxyethyl)-3-[[2-[3-[methyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]benzamide
CID 54838787

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[[2-[4-(2-methoxyethylcarbamoyl)anilino]acetyl]amino]benzamide?
The IUPAC name of N,N-diethyl-3-[[2-[4-(2-methoxyethylcarbamoyl)anilino]acetyl]amino]benzamide (CID 54836242) is N,N-diethyl-3-[[2-[4-(2-methoxyethylcarbamoyl)anilino]acetyl]amino]benzamide.
What is the SMILES notation for N,N-diethyl-3-[[2-[4-(2-methoxyethylcarbamoyl)anilino]acetyl]amino]benzamide?
The canonical SMILES for N,N-diethyl-3-[[2-[4-(2-methoxyethylcarbamoyl)anilino]acetyl]amino]benzamide is CCN(CC)C(=O)c1cccc(NC(=O)CNc2ccc(C(=O)NCCOC)cc2)c1.
What is the InChIKey of N,N-diethyl-3-[[2-[4-(2-methoxyethylcarbamoyl)anilino]acetyl]amino]benzamide?
The InChIKey is KJHXMYJYFVELNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O4/c1-4-27(5-2)23(30)18-7-6-8-20(15-18)26-21(28)16-25-19-11-9-17(10-12-19)22(29)24-13-14-31-3/h6-12,15,25H,4-5,13-14,16H2,1-3H3,(H,24,29)(H,26,28).
What are the key properties of N,N-diethyl-3-[[2-[4-(2-methoxyethylcarbamoyl)anilino]acetyl]amino]benzamide?
N,N-diethyl-3-[[2-[4-(2-methoxyethylcarbamoyl)anilino]acetyl]amino]benzamide has a molecular weight of 426.52 g/mol, XLogP of 2.60, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[[2-[4-(2-methoxyethylcarbamoyl)anilino]acetyl]amino]benzamide is sourced from PubChem (CID 54836242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).