N-(2-methoxyethyl)-4-[[2-oxo-2-(3-propoxyanilino)ethyl]amino]benzamide

C21H27N3O4 — CID 54836110

IUPACN-(2-methoxyethyl)-4-[[2-oxo-2-(3-propoxyanilino)ethyl]amino]benzamide
SMILESCCCOc1cccc(NC(=O)CNc2ccc(C(=O)NCCOC)cc2)c1
InChIInChI=1S/C21H27N3O4/c1-3-12-28-19-6-4-5-18(14-19)24-20(25)15-23-17-9-7-16(8-10-17)21(26)22-11-13-27-2/h4-10,14,23H,3,11-13,15H2,1-2H3,(H,22,26)(H,24,25)
InChIKeyQIQKJWQOVIMOET-UHFFFAOYSA-N
MW385.46 g/mol
LogP2.90
Rot. Bonds11

About N-(2-methoxyethyl)-4-[[2-oxo-2-(3-propoxyanilino)ethyl]amino]benzamide

N-(2-methoxyethyl)-4-[[2-oxo-2-(3-propoxyanilino)ethyl]amino]benzamide (PubChem CID 54836110) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-[[2-oxo-2-(3-propoxyanilino)ethyl]amino]benzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-[[2-oxo-2-(3-propoxyanilino)ethyl]amino]benzamide
PubChem CID54836110
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC NameN-(2-methoxyethyl)-4-[[2-oxo-2-(3-propoxyanilino)ethyl]amino]benzamide
SMILESCCCOc1cccc(NC(=O)CNc2ccc(C(=O)NCCOC)cc2)c1
InChIInChI=1S/C21H27N3O4/c1-3-12-28-19-6-4-5-18(14-19)24-20(25)15-23-17-9-7-16(8-10-17)21(26)22-11-13-27-2/h4-10,14,23H,3,11-13,15H2,1-2H3,(H,22,26)(H,24,25)
InChIKeyQIQKJWQOVIMOET-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

4-[[2-(3-butoxyanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836079
4-[[2-(3-butoxyanilino)-2-oxoethyl]amino]-N-butylbenzamide
CID 54832168
N-(2-methoxyethyl)-4-[[2-(4-propoxyanilino)acetyl]amino]benzamide
CID 54822703
N-[3-(2-methoxyethoxy)phenyl]-2-(4-propoxyanilino)acetamide
CID 54820051
3-[[2-oxo-2-(3-propoxyanilino)ethyl]amino]-N-propylbenzamide
CID 54838865
3-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 54827524
propyl 4-[[2-oxo-2-(3-propoxyanilino)ethyl]amino]benzoate
CID 54812726
methyl 4-[[2-[3-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]benzoate
CID 54817060
2-(4-butoxyanilino)-N-(3-propoxyphenyl)acetamide
CID 54820125
N-(2-methoxyethyl)-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54846451
N-ethyl-3-[[2-(3-propoxyanilino)acetyl]amino]benzamide
CID 36861007
4-[[2-[3-(2,2-dimethylpropanoylamino)anilino]-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54835985

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-[[2-oxo-2-(3-propoxyanilino)ethyl]amino]benzamide?
The IUPAC name of N-(2-methoxyethyl)-4-[[2-oxo-2-(3-propoxyanilino)ethyl]amino]benzamide (CID 54836110) is N-(2-methoxyethyl)-4-[[2-oxo-2-(3-propoxyanilino)ethyl]amino]benzamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-[[2-oxo-2-(3-propoxyanilino)ethyl]amino]benzamide?
The canonical SMILES for N-(2-methoxyethyl)-4-[[2-oxo-2-(3-propoxyanilino)ethyl]amino]benzamide is CCCOc1cccc(NC(=O)CNc2ccc(C(=O)NCCOC)cc2)c1.
What is the InChIKey of N-(2-methoxyethyl)-4-[[2-oxo-2-(3-propoxyanilino)ethyl]amino]benzamide?
The InChIKey is QIQKJWQOVIMOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-3-12-28-19-6-4-5-18(14-19)24-20(25)15-23-17-9-7-16(8-10-17)21(26)22-11-13-27-2/h4-10,14,23H,3,11-13,15H2,1-2H3,(H,22,26)(H,24,25).
What are the key properties of N-(2-methoxyethyl)-4-[[2-oxo-2-(3-propoxyanilino)ethyl]amino]benzamide?
N-(2-methoxyethyl)-4-[[2-oxo-2-(3-propoxyanilino)ethyl]amino]benzamide 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 N-(2-methoxyethyl)-4-[[2-oxo-2-(3-propoxyanilino)ethyl]amino]benzamide is sourced from PubChem (CID 54836110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).