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

C23H30N4O4 — CID 54833883

IUPAC3-[[2-[4-(diethylcarbamoyl)anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide
SMILESCCN(CC)C(=O)c1ccc(NCC(=O)Nc2cccc(C(=O)NCCOC)c2)cc1
InChIInChI=1S/C23H30N4O4/c1-4-27(5-2)23(30)17-9-11-19(12-10-17)25-16-21(28)26-20-8-6-7-18(15-20)22(29)24-13-14-31-3/h6-12,15,25H,4-5,13-14,16H2,1-3H3,(H,24,29)(H,26,28)
InChIKeyOAAQBZIKOCQRKI-UHFFFAOYSA-N
MW426.52 g/mol
LogP2.60
Rot. Bonds11

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

3-[[2-[4-(diethylcarbamoyl)anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide (PubChem CID 54833883) has the molecular formula C23H30N4O4 and a molecular weight of 426.52 g/mol. Its IUPAC name is 3-[[2-[4-(diethylcarbamoyl)anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name3-[[2-[4-(diethylcarbamoyl)anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide
PubChem CID54833883
Molecular FormulaC23H30N4O4
Molecular Weight426.52 g/mol
Exact Mass426.23
IUPAC Name3-[[2-[4-(diethylcarbamoyl)anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide
SMILESCCN(CC)C(=O)c1ccc(NCC(=O)Nc2cccc(C(=O)NCCOC)c2)cc1
InChIInChI=1S/C23H30N4O4/c1-4-27(5-2)23(30)17-9-11-19(12-10-17)25-16-21(28)26-20-8-6-7-18(15-20)22(29)24-13-14-31-3/h6-12,15,25H,4-5,13-14,16H2,1-3H3,(H,24,29)(H,26,28)
InChIKeyOAAQBZIKOCQRKI-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

N,N-diethyl-3-[[2-[4-(2-methoxyethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54836242
3-[[2-[4-(2-methoxyethylcarbamoyl)anilino]acetyl]amino]-N,N-dipropylbenzamide
CID 54835986
methyl 4-[[2-[3-(2-methoxyethylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate
CID 54817106
N-(2-methoxyethyl)-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54846451
N,N-diethyl-4-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]benzamide
CID 54833942
3-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 54811092
3-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-ethylbenzamide
CID 54837721
N-(2-methoxyethyl)-3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54834227
3-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 54830126
3-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836164
N-tert-butyl-3-[[2-[3-(2-methoxyethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844392
N-(2-methoxyethyl)-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54838931

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[4-(diethylcarbamoyl)anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide?
The IUPAC name of 3-[[2-[4-(diethylcarbamoyl)anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide (CID 54833883) is 3-[[2-[4-(diethylcarbamoyl)anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 3-[[2-[4-(diethylcarbamoyl)anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 3-[[2-[4-(diethylcarbamoyl)anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide is CCN(CC)C(=O)c1ccc(NCC(=O)Nc2cccc(C(=O)NCCOC)c2)cc1.
What is the InChIKey of 3-[[2-[4-(diethylcarbamoyl)anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide?
The InChIKey is OAAQBZIKOCQRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O4/c1-4-27(5-2)23(30)17-9-11-19(12-10-17)25-16-21(28)26-20-8-6-7-18(15-20)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 3-[[2-[4-(diethylcarbamoyl)anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide?
3-[[2-[4-(diethylcarbamoyl)anilino]acetyl]amino]-N-(2-methoxyethyl)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 3-[[2-[4-(diethylcarbamoyl)anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 54833883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).