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

C22H29N3O3 — CID 54834104

IUPACN,N-diethyl-4-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]benzamide
SMILESCCCOc1ccc(NC(=O)CNc2ccc(C(=O)N(CC)CC)cc2)cc1
InChIInChI=1S/C22H29N3O3/c1-4-15-28-20-13-11-19(12-14-20)24-21(26)16-23-18-9-7-17(8-10-18)22(27)25(5-2)6-3/h7-14,23H,4-6,15-16H2,1-3H3,(H,24,26)
InChIKeySKJPUORUIIDADK-UHFFFAOYSA-N
MW383.49 g/mol
LogP4.01
Rot. Bonds10

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

N,N-diethyl-4-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]benzamide (PubChem CID 54834104) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is N,N-diethyl-4-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]benzamide
PubChem CID54834104
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC NameN,N-diethyl-4-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]benzamide
SMILESCCCOc1ccc(NC(=O)CNc2ccc(C(=O)N(CC)CC)cc2)cc1
InChIInChI=1S/C22H29N3O3/c1-4-15-28-20-13-11-19(12-14-20)24-21(26)16-23-18-9-7-17(8-10-18)22(27)25(5-2)6-3/h7-14,23H,4-6,15-16H2,1-3H3,(H,24,26)
InChIKeySKJPUORUIIDADK-UHFFFAOYSA-N
XLogP4.01
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]-N,N-dipropylbenzamide
CID 54832147
4-[[2-(4-ethoxyanilino)acetyl]amino]-N,N-diethylbenzamide
CID 54811099
N,N-diethyl-3-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]benzamide
CID 54832527
2-(4-propoxyanilino)-N-(4-propoxyphenyl)acetamide
CID 54820383
N,N-diethyl-4-[[2-(4-phenylmethoxyanilino)acetyl]amino]benzamide
CID 37221073
4-[[2-(4-hexoxyanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54820826
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-propoxybenzoate
CID 7211957
N-(2-methoxyethyl)-4-[[2-(4-propoxyanilino)acetyl]amino]benzamide
CID 54822703
4-[[2-(4-bromoanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54834198
N,N-diethyl-4-[[2-(4-iodoanilino)acetyl]amino]benzamide
CID 54812461
2-(4-fluoroanilino)-N-(4-propoxyphenyl)acetamide
CID 54811098
N,N-diethyl-3-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide
CID 54822926

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]benzamide?
The IUPAC name of N,N-diethyl-4-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]benzamide (CID 54834104) is N,N-diethyl-4-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]benzamide.
What is the SMILES notation for N,N-diethyl-4-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]benzamide?
The canonical SMILES for N,N-diethyl-4-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]benzamide is CCCOc1ccc(NC(=O)CNc2ccc(C(=O)N(CC)CC)cc2)cc1.
What is the InChIKey of N,N-diethyl-4-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]benzamide?
The InChIKey is SKJPUORUIIDADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-4-15-28-20-13-11-19(12-14-20)24-21(26)16-23-18-9-7-17(8-10-18)22(27)25(5-2)6-3/h7-14,23H,4-6,15-16H2,1-3H3,(H,24,26).
What are the key properties of N,N-diethyl-4-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]benzamide?
N,N-diethyl-4-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]benzamide has a molecular weight of 383.49 g/mol, XLogP of 4.01, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]benzamide is sourced from PubChem (CID 54834104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).