3-[[2-[2-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-ethylbenzamide

C21H27N3O4 — CID 54837835

IUPAC3-[[2-[2-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(NCC(=O)Nc2ccccc2OCCOCC)c1
InChIInChI=1S/C21H27N3O4/c1-3-22-21(26)16-8-7-9-17(14-16)23-15-20(25)24-18-10-5-6-11-19(18)28-13-12-27-4-2/h5-11,14,23H,3-4,12-13,15H2,1-2H3,(H,22,26)(H,24,25)
InChIKeyWWIMRJQNBXQHCM-UHFFFAOYSA-N
MW385.46 g/mol
LogP2.90
Rot. Bonds11

About 3-[[2-[2-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-ethylbenzamide

3-[[2-[2-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-ethylbenzamide (PubChem CID 54837835) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is 3-[[2-[2-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-ethylbenzamide.

Molecular Properties

Compound Name3-[[2-[2-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-ethylbenzamide
PubChem CID54837835
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC Name3-[[2-[2-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(NCC(=O)Nc2ccccc2OCCOCC)c1
InChIInChI=1S/C21H27N3O4/c1-3-22-21(26)16-8-7-9-17(14-16)23-15-20(25)24-18-10-5-6-11-19(18)28-13-12-27-4-2/h5-11,14,23H,3-4,12-13,15H2,1-2H3,(H,22,26)(H,24,25)
InChIKeyWWIMRJQNBXQHCM-UHFFFAOYSA-N
XLogP2.90
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 52.90
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-ethyl-3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzamide
CID 54838041
3-[[2-[2-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54837010
2-(3-acetamidoanilino)-N-[2-(2-ethoxyethoxy)phenyl]acetamide
CID 54831775
3-[[2-[2-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54844474
N-ethyl-3-[[2-[2-(3-phenylpropoxy)anilino]acetyl]amino]benzamide
CID 54826893
N-[2-(2-ethoxyethoxy)phenyl]-2-[3-(3-methylbutoxy)anilino]acetamide
CID 54824535
N-[3-[[2-[2-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843723
N-ethyl-3-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide
CID 54838016
3-[[2-[2-(2-ethoxyethoxy)anilino]acetyl]amino]-N,N-dipropylbenzamide
CID 54827668
3-[[2-[2-(2-ethoxyethoxy)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54827700
N-benzyl-3-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]benzamide
CID 54827557
N-(2-methoxyethyl)-3-[[2-[2-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54835975

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[2-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-ethylbenzamide?
The IUPAC name of 3-[[2-[2-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-ethylbenzamide (CID 54837835) is 3-[[2-[2-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-ethylbenzamide.
What is the SMILES notation for 3-[[2-[2-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-ethylbenzamide?
The canonical SMILES for 3-[[2-[2-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-ethylbenzamide is CCNC(=O)c1cccc(NCC(=O)Nc2ccccc2OCCOCC)c1.
What is the InChIKey of 3-[[2-[2-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-ethylbenzamide?
The InChIKey is WWIMRJQNBXQHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-3-22-21(26)16-8-7-9-17(14-16)23-15-20(25)24-18-10-5-6-11-19(18)28-13-12-27-4-2/h5-11,14,23H,3-4,12-13,15H2,1-2H3,(H,22,26)(H,24,25).
What are the key properties of 3-[[2-[2-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-ethylbenzamide?
3-[[2-[2-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-ethylbenzamide has a molecular weight of 385.46 g/mol, XLogP of 2.90, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[2-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-ethylbenzamide is sourced from PubChem (CID 54837835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).