N-[4-(2-morpholin-4-ylethylamino)-5-oxocyclohepta-1,3,6-trien-1-yl]acetamide

C15H21N3O3 — CID 28958

IUPACN-[4-(2-morpholin-4-ylethylamino)-5-oxocyclohepta-1,3,6-trien-1-yl]acetamide
SMILESCC(=O)Nc1ccc(NCCN2CCOCC2)c(=O)cc1
InChIInChI=1S/C15H21N3O3/c1-12(19)17-13-2-4-14(15(20)5-3-13)16-6-7-18-8-10-21-11-9-18/h2-5H,6-11H2,1H3,(H,16,20)(H,17,19)
InChIKeyGHBHPRNDCVLMOU-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.75
Rot. Bonds5

About N-[4-(2-morpholin-4-ylethylamino)-5-oxocyclohepta-1,3,6-trien-1-yl]acetamide

N-[4-(2-morpholin-4-ylethylamino)-5-oxocyclohepta-1,3,6-trien-1-yl]acetamide (PubChem CID 28958) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[4-(2-morpholin-4-ylethylamino)-5-oxocyclohepta-1,3,6-trien-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-(2-morpholin-4-ylethylamino)-5-oxocyclohepta-1,3,6-trien-1-yl]acetamide
PubChem CID28958
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-[4-(2-morpholin-4-ylethylamino)-5-oxocyclohepta-1,3,6-trien-1-yl]acetamide
SMILESCC(=O)Nc1ccc(NCCN2CCOCC2)c(=O)cc1
InChIInChI=1S/C15H21N3O3/c1-12(19)17-13-2-4-14(15(20)5-3-13)16-6-7-18-8-10-21-11-9-18/h2-5H,6-11H2,1H3,(H,16,20)(H,17,19)
InChIKeyGHBHPRNDCVLMOU-UHFFFAOYSA-N
XLogP0.75
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Acetamide, N-(4-((2-(dimethylamino)ethyl)amino)-5-oxo-1,3,6-cycloheptatrien-1-yl)-
CID 27342
3-(Morpholin-4-yl)-1,2,5,6-tetrahydropyridin-2-one
CID 21891460
N-[2-[4-(7-oxocyclohepta-1,3,5-trien-1-yl)piperazin-1-yl]ethyl]acetamide
CID 15592139
Acetamide, N-(5-oxo-4-((2-piperidinoethyl)amino)-1,3,6-cycloheptatrien-1-yl)-
CID 27348
2,4,6-Cycloheptatrien-1-one, 2-((2-morpholinoethyl)amino)-, dihydrochloride
CID 28952
Acetamide, N-(4-((2-(diethylamino)ethyl)amino)-5-oxo-1,3,6-cycloheptatrien-1-yl)-
CID 203937
4-Morpholineacetamide, N-(7-oxo-1,3,5-cycloheptatrien-1-yl)-, monohydrochloride
CID 203943
4-Morpholineacetamide, N,N'-(7-oxo-1,3,5-cycloheptatrien-1,4-ylene)bis-
CID 205563
4-Morpholineacetamide, N-(4-hydroxy-5-oxo-1,3,6-cycloheptatrien-1-yl)-, monohydrochloride
CID 205566
N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-6-oxo-1H-pyridine-2-carboxamide
CID 132360567
2-[4-(2-Ethoxyethyl)piperazin-1-yl]cyclohepta-2,4,6-trien-1-one
CID 15592106
2-(2-Morpholin-4-ylethylamino)cyclohepta-2,4,6-trien-1-one
CID 28953

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-morpholin-4-ylethylamino)-5-oxocyclohepta-1,3,6-trien-1-yl]acetamide?
The IUPAC name of N-[4-(2-morpholin-4-ylethylamino)-5-oxocyclohepta-1,3,6-trien-1-yl]acetamide (CID 28958) is N-[4-(2-morpholin-4-ylethylamino)-5-oxocyclohepta-1,3,6-trien-1-yl]acetamide.
What is the SMILES notation for N-[4-(2-morpholin-4-ylethylamino)-5-oxocyclohepta-1,3,6-trien-1-yl]acetamide?
The canonical SMILES for N-[4-(2-morpholin-4-ylethylamino)-5-oxocyclohepta-1,3,6-trien-1-yl]acetamide is CC(=O)Nc1ccc(NCCN2CCOCC2)c(=O)cc1.
What is the InChIKey of N-[4-(2-morpholin-4-ylethylamino)-5-oxocyclohepta-1,3,6-trien-1-yl]acetamide?
The InChIKey is GHBHPRNDCVLMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-12(19)17-13-2-4-14(15(20)5-3-13)16-6-7-18-8-10-21-11-9-18/h2-5H,6-11H2,1H3,(H,16,20)(H,17,19).
What are the key properties of N-[4-(2-morpholin-4-ylethylamino)-5-oxocyclohepta-1,3,6-trien-1-yl]acetamide?
N-[4-(2-morpholin-4-ylethylamino)-5-oxocyclohepta-1,3,6-trien-1-yl]acetamide has a molecular weight of 291.35 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-morpholin-4-ylethylamino)-5-oxocyclohepta-1,3,6-trien-1-yl]acetamide is sourced from PubChem (CID 28958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).