N-[2-(cyclohexen-1-yl)ethyl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide

C22H29N3O2 — CID 46324568

IUPACN-[2-(cyclohexen-1-yl)ethyl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
SMILESCc1cc2nc(C)c(=O)n(CCC(=O)NCCC3=CCCCC3)c2cc1C
InChIInChI=1S/C22H29N3O2/c1-15-13-19-20(14-16(15)2)25(22(27)17(3)24-19)12-10-21(26)23-11-9-18-7-5-4-6-8-18/h7,13-14H,4-6,8-12H2,1-3H3,(H,23,26)
InChIKeyWWPHXEOXTBEMHK-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.72
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide

N-[2-(cyclohexen-1-yl)ethyl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide (PubChem CID 46324568) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
PubChem CID46324568
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
SMILESCc1cc2nc(C)c(=O)n(CCC(=O)NCCC3=CCCCC3)c2cc1C
InChIInChI=1S/C22H29N3O2/c1-15-13-19-20(14-16(15)2)25(22(27)17(3)24-19)12-10-21(26)23-11-9-18-7-5-4-6-8-18/h7,13-14H,4-6,8-12H2,1-3H3,(H,23,26)
InChIKeyWWPHXEOXTBEMHK-UHFFFAOYSA-N
XLogP3.72
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-morpholin-4-ylethyl)-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324584
N-[2-(5-methyl-1H-indol-3-yl)ethyl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
CID 50781098
N-[3-(2-methylpiperidin-1-yl)propyl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324603
N-[2-(cyclohexen-1-yl)ethyl]-3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 17493936
N-(2,4-dimethylphenyl)-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324526
N-(4-methylphenyl)-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324586
3,6,7-trimethyl-1-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]quinoxalin-2-one
CID 46324538
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324614
N-[(3-fluorophenyl)methyl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324640
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324607
3-(azepan-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 109014698
N-[2-(cyclohexen-1-yl)ethyl]-3-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 16883136

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide (CID 46324568) is N-[2-(cyclohexen-1-yl)ethyl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide is Cc1cc2nc(C)c(=O)n(CCC(=O)NCCC3=CCCCC3)c2cc1C.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide?
The InChIKey is WWPHXEOXTBEMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-15-13-19-20(14-16(15)2)25(22(27)17(3)24-19)12-10-21(26)23-11-9-18-7-5-4-6-8-18/h7,13-14H,4-6,8-12H2,1-3H3,(H,23,26).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide?
N-[2-(cyclohexen-1-yl)ethyl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide has a molecular weight of 367.49 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide is sourced from PubChem (CID 46324568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).