2-(diethylamino)-N-[4-[[2-(diethylamino)acetyl]amino]-5-oxocyclohepta-1,3,6-trien-1-yl]acetamide

C19H30N4O3 — CID 28944

IUPAC2-(diethylamino)-N-[4-[[2-(diethylamino)acetyl]amino]-5-oxocyclohepta-1,3,6-trien-1-yl]acetamide
SMILESCCN(CC)CC(=O)Nc1ccc(NC(=O)CN(CC)CC)c(=O)cc1
InChIInChI=1S/C19H30N4O3/c1-5-22(6-2)13-18(25)20-15-9-11-16(17(24)12-10-15)21-19(26)14-23(7-3)8-4/h9-12H,5-8,13-14H2,1-4H3,(H,20,25)(H,21,24,26)
InChIKeyVAAJQRJXWITFFJ-UHFFFAOYSA-N
MW362.47 g/mol
LogP1.61
Rot. Bonds10

About 2-(diethylamino)-N-[4-[[2-(diethylamino)acetyl]amino]-5-oxocyclohepta-1,3,6-trien-1-yl]acetamide

2-(diethylamino)-N-[4-[[2-(diethylamino)acetyl]amino]-5-oxocyclohepta-1,3,6-trien-1-yl]acetamide (PubChem CID 28944) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is 2-(diethylamino)-N-[4-[[2-(diethylamino)acetyl]amino]-5-oxocyclohepta-1,3,6-trien-1-yl]acetamide.

Molecular Properties

Compound Name2-(diethylamino)-N-[4-[[2-(diethylamino)acetyl]amino]-5-oxocyclohepta-1,3,6-trien-1-yl]acetamide
PubChem CID28944
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Name2-(diethylamino)-N-[4-[[2-(diethylamino)acetyl]amino]-5-oxocyclohepta-1,3,6-trien-1-yl]acetamide
SMILESCCN(CC)CC(=O)Nc1ccc(NC(=O)CN(CC)CC)c(=O)cc1
InChIInChI=1S/C19H30N4O3/c1-5-22(6-2)13-18(25)20-15-9-11-16(17(24)12-10-15)21-19(26)14-23(7-3)8-4/h9-12H,5-8,13-14H2,1-4H3,(H,20,25)(H,21,24,26)
InChIKeyVAAJQRJXWITFFJ-UHFFFAOYSA-N
XLogP1.61
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(diethylamino)-N-[4-[[2-(diethylamino)acetyl]amino]-5-oxocyclohepta-1,3,6-trien-1-yl]acetamide with MolForge

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Related Compounds

Acetamide, N-(4-((2-(dimethylamino)ethyl)amino)-5-oxo-1,3,6-cycloheptatrien-1-yl)-
CID 27342
1-Piperidineacetamide, N,N'-(7-oxo-1,3,5-cycloheptatrien-1,4-ylene)bis-
CID 203938
Acetamide, N-(4-(diethylamino)-5-oxo-1,3,6-cycloheptatrien-1-yl)-
CID 205560
4-(2-Oxo-3,5,7-cycloheptatrien-1-yl)-1-piperazine-acetamide
CID 15592116
N-[2-[4-(7-oxocyclohepta-1,3,5-trien-1-yl)piperazin-1-yl]ethyl]acetamide
CID 15592139
2,4,6-Cycloheptatrien-1-one, 2-((2-(dimethylamino)ethyl)amino)-
CID 17665
Acetamide, N-(5-oxo-4-((2-piperidinoethyl)amino)-1,3,6-cycloheptatrien-1-yl)-
CID 27348
Acetamide, N-(4-((3-(dimethylamino)propyl)amino)-5-oxo-1,3,6-cycloheptatrien-1-yl)-
CID 27349
Acetamide, N-(4-(methylamino)-5-oxo-1,3,6-cycloheptatrien-1-yl)-
CID 28942
Acetamide, N-(4-(ethylamino)-5-oxo-1,3,6-cycloheptatrien-1-yl)-
CID 28943
2,4,6-Cycloheptatrien-1-one, 2-((2-(diethylamino)ethyl)amino)-, dihydrochloride
CID 28948
Acetamide, 2-(dimethylamino)-N-(7-oxo-1,3,5-cycloheptatrien-1-yl)-, monohydrochloride
CID 203933

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-[4-[[2-(diethylamino)acetyl]amino]-5-oxocyclohepta-1,3,6-trien-1-yl]acetamide?
The IUPAC name of 2-(diethylamino)-N-[4-[[2-(diethylamino)acetyl]amino]-5-oxocyclohepta-1,3,6-trien-1-yl]acetamide (CID 28944) is 2-(diethylamino)-N-[4-[[2-(diethylamino)acetyl]amino]-5-oxocyclohepta-1,3,6-trien-1-yl]acetamide.
What is the SMILES notation for 2-(diethylamino)-N-[4-[[2-(diethylamino)acetyl]amino]-5-oxocyclohepta-1,3,6-trien-1-yl]acetamide?
The canonical SMILES for 2-(diethylamino)-N-[4-[[2-(diethylamino)acetyl]amino]-5-oxocyclohepta-1,3,6-trien-1-yl]acetamide is CCN(CC)CC(=O)Nc1ccc(NC(=O)CN(CC)CC)c(=O)cc1.
What is the InChIKey of 2-(diethylamino)-N-[4-[[2-(diethylamino)acetyl]amino]-5-oxocyclohepta-1,3,6-trien-1-yl]acetamide?
The InChIKey is VAAJQRJXWITFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-5-22(6-2)13-18(25)20-15-9-11-16(17(24)12-10-15)21-19(26)14-23(7-3)8-4/h9-12H,5-8,13-14H2,1-4H3,(H,20,25)(H,21,24,26).
What are the key properties of 2-(diethylamino)-N-[4-[[2-(diethylamino)acetyl]amino]-5-oxocyclohepta-1,3,6-trien-1-yl]acetamide?
2-(diethylamino)-N-[4-[[2-(diethylamino)acetyl]amino]-5-oxocyclohepta-1,3,6-trien-1-yl]acetamide has a molecular weight of 362.47 g/mol, XLogP of 1.61, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-[4-[[2-(diethylamino)acetyl]amino]-5-oxocyclohepta-1,3,6-trien-1-yl]acetamide is sourced from PubChem (CID 28944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).