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

C22H29N3O3 — CID 54832527

IUPACN,N-diethyl-3-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]benzamide
SMILESCCCOc1ccc(NC(=O)CNc2cccc(C(=O)N(CC)CC)c2)cc1
InChIInChI=1S/C22H29N3O3/c1-4-14-28-20-12-10-18(11-13-20)24-21(26)16-23-19-9-7-8-17(15-19)22(27)25(5-2)6-3/h7-13,15,23H,4-6,14,16H2,1-3H3,(H,24,26)
InChIKeyAJOYRFCCVPYTTA-UHFFFAOYSA-N
MW383.49 g/mol
LogP4.01
Rot. Bonds10

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

N,N-diethyl-3-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]benzamide (PubChem CID 54832527) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is N,N-diethyl-3-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-3-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]benzamide
PubChem CID54832527
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC NameN,N-diethyl-3-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]benzamide
SMILESCCCOc1ccc(NC(=O)CNc2cccc(C(=O)N(CC)CC)c2)cc1
InChIInChI=1S/C22H29N3O3/c1-4-14-28-20-12-10-18(11-13-20)24-21(26)16-23-19-9-7-8-17(15-19)22(27)25(5-2)6-3/h7-13,15,23H,4-6,14,16H2,1-3H3,(H,24,26)
InChIKeyAJOYRFCCVPYTTA-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

N,N-dimethyl-3-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]benzamide
CID 54840721
N,N-diethyl-3-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide
CID 54822926
N,N-diethyl-4-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]benzamide
CID 54834104
N,N-diethyl-3-[[2-(4-propoxyphenoxy)acetyl]amino]benzamide
CID 78775457
3-[[2-[4-(butanoylamino)anilino]-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54832690
3-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54841219
3-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N,N-diethylbenzamide
CID 54837209
3-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 54840849
N-benzyl-3-[[2-(4-butoxyanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 54842111
4-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]-N,N-dipropylbenzamide
CID 54832147
2-(4-propoxyanilino)-N-(4-propoxyphenyl)acetamide
CID 54820383
3-[[2-(4-heptoxyanilino)-2-oxoethyl]amino]benzamide
CID 54842615

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]benzamide?
The IUPAC name of N,N-diethyl-3-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]benzamide (CID 54832527) is N,N-diethyl-3-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]benzamide.
What is the SMILES notation for N,N-diethyl-3-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]benzamide?
The canonical SMILES for N,N-diethyl-3-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]benzamide is CCCOc1ccc(NC(=O)CNc2cccc(C(=O)N(CC)CC)c2)cc1.
What is the InChIKey of N,N-diethyl-3-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]benzamide?
The InChIKey is AJOYRFCCVPYTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-4-14-28-20-12-10-18(11-13-20)24-21(26)16-23-19-9-7-8-17(15-19)22(27)25(5-2)6-3/h7-13,15,23H,4-6,14,16H2,1-3H3,(H,24,26).
What are the key properties of N,N-diethyl-3-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]benzamide?
N,N-diethyl-3-[[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-3-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]benzamide is sourced from PubChem (CID 54832527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).