4-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]-N,N-dipropylbenzamide

C24H33N3O3 — CID 54832147

IUPAC4-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]-N,N-dipropylbenzamide
SMILESCCCOc1ccc(NC(=O)CNc2ccc(C(=O)N(CCC)CCC)cc2)cc1
InChIInChI=1S/C24H33N3O3/c1-4-15-27(16-5-2)24(29)19-7-9-20(10-8-19)25-18-23(28)26-21-11-13-22(14-12-21)30-17-6-3/h7-14,25H,4-6,15-18H2,1-3H3,(H,26,28)
InChIKeyGENQGJZMEZAJQL-UHFFFAOYSA-N
MW411.55 g/mol
LogP4.79
Rot. Bonds12

About 4-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]-N,N-dipropylbenzamide

4-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]-N,N-dipropylbenzamide (PubChem CID 54832147) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is 4-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]-N,N-dipropylbenzamide.

Molecular Properties

Compound Name4-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]-N,N-dipropylbenzamide
PubChem CID54832147
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC Name4-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]-N,N-dipropylbenzamide
SMILESCCCOc1ccc(NC(=O)CNc2ccc(C(=O)N(CCC)CCC)cc2)cc1
InChIInChI=1S/C24H33N3O3/c1-4-15-27(16-5-2)24(29)19-7-9-20(10-8-19)25-18-23(28)26-21-11-13-22(14-12-21)30-17-6-3/h7-14,25H,4-6,15-18H2,1-3H3,(H,26,28)
InChIKeyGENQGJZMEZAJQL-UHFFFAOYSA-N
XLogP4.79
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(4-hexoxyanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54820826
N,N-diethyl-4-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]benzamide
CID 54834104
4-[[2-[4-(2-methylpropoxy)anilino]-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54832146
2-(4-propoxyanilino)-N-(4-propoxyphenyl)acetamide
CID 54820383
4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]-N,N-dipropylbenzamide
CID 54832179
4-[[2-(4-methylanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54813932
methyl 4-[[2-[4-(dipropylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate
CID 54816864
4-[[2-(4-iodoanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54832241
4-[[2-(4-bromoanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54811247
4-[[2-(4-ethoxyanilino)acetyl]amino]-N,N-diethylbenzamide
CID 54811099
N-(2-methoxyethyl)-4-[[2-(4-propoxyanilino)acetyl]amino]benzamide
CID 54822703
3-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54841219

Frequently Asked Questions

What is the IUPAC name of 4-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]-N,N-dipropylbenzamide?
The IUPAC name of 4-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]-N,N-dipropylbenzamide (CID 54832147) is 4-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]-N,N-dipropylbenzamide.
What is the SMILES notation for 4-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]-N,N-dipropylbenzamide?
The canonical SMILES for 4-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]-N,N-dipropylbenzamide is CCCOc1ccc(NC(=O)CNc2ccc(C(=O)N(CCC)CCC)cc2)cc1.
What is the InChIKey of 4-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]-N,N-dipropylbenzamide?
The InChIKey is GENQGJZMEZAJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3/c1-4-15-27(16-5-2)24(29)19-7-9-20(10-8-19)25-18-23(28)26-21-11-13-22(14-12-21)30-17-6-3/h7-14,25H,4-6,15-18H2,1-3H3,(H,26,28).
What are the key properties of 4-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]-N,N-dipropylbenzamide?
4-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]-N,N-dipropylbenzamide has a molecular weight of 411.55 g/mol, XLogP of 4.79, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]-N,N-dipropylbenzamide is sourced from PubChem (CID 54832147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).