N-cyclopentyl-3-[4-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]propanamide

C27H32N4O3 — CID 50833144

IUPACN-cyclopentyl-3-[4-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]propanamide
SMILESCCc1cccc(C)c1NC(=O)Cn1c(=O)c(CCC(=O)NC2CCCC2)nc2ccccc21
InChIInChI=1S/C27H32N4O3/c1-3-19-10-8-9-18(2)26(19)30-25(33)17-31-23-14-7-6-13-21(23)29-22(27(31)34)15-16-24(32)28-20-11-4-5-12-20/h6-10,13-14,20H,3-5,11-12,15-17H2,1-2H3,(H,28,32)(H,30,33)
InChIKeyGCNUFMGOMUMPLK-UHFFFAOYSA-N
MW460.58 g/mol
LogP3.90
Rot. Bonds8

About N-cyclopentyl-3-[4-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]propanamide

N-cyclopentyl-3-[4-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]propanamide (PubChem CID 50833144) has the molecular formula C27H32N4O3 and a molecular weight of 460.58 g/mol. Its IUPAC name is N-cyclopentyl-3-[4-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[4-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]propanamide
PubChem CID50833144
Molecular FormulaC27H32N4O3
Molecular Weight460.58 g/mol
Exact Mass460.25
IUPAC NameN-cyclopentyl-3-[4-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]propanamide
SMILESCCc1cccc(C)c1NC(=O)Cn1c(=O)c(CCC(=O)NC2CCCC2)nc2ccccc21
InChIInChI=1S/C27H32N4O3/c1-3-19-10-8-9-18(2)26(19)30-25(33)17-31-23-14-7-6-13-21(23)29-22(27(31)34)15-16-24(32)28-20-11-4-5-12-20/h6-10,13-14,20H,3-5,11-12,15-17H2,1-2H3,(H,28,32)(H,30,33)
InChIKeyGCNUFMGOMUMPLK-UHFFFAOYSA-N
XLogP3.90
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-3-[4-[2-(2-ethoxyanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]propanamide
CID 46391445
3-[4-[2-(4-chloroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-cyclopropylpropanamide
CID 46391421
3-[4-[2-(benzylamino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-cyclopropylpropanamide
CID 46391437
3-[4-[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-cyclopropylpropanamide
CID 46391430
N-(2-ethyl-6-methylphenyl)-2-(2-ethylsulfanylbenzimidazol-1-yl)acetamide
CID 1327709
3-[4-[2-(2-ethylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide
CID 53129384
1-cyclohexyl-3-(2-ethyl-6-methylphenyl)urea
CID 3326830
N-cyclohexyl-2-(2-propylbenzimidazol-1-yl)acetamide
CID 17028657
3-[4-[2-(4-ethoxyanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-methylpropanamide
CID 53129317
N-(2,6-dimethylphenyl)-2-[2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]acetamide
CID 46284677
N-cyclopentyl-2-[2-(ethylamino)benzimidazol-1-yl]acetamide
CID 82359517
3-[4-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-methylpropanamide
CID 53129324

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[4-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]propanamide?
The IUPAC name of N-cyclopentyl-3-[4-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]propanamide (CID 50833144) is N-cyclopentyl-3-[4-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]propanamide.
What is the SMILES notation for N-cyclopentyl-3-[4-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]propanamide?
The canonical SMILES for N-cyclopentyl-3-[4-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]propanamide is CCc1cccc(C)c1NC(=O)Cn1c(=O)c(CCC(=O)NC2CCCC2)nc2ccccc21.
What is the InChIKey of N-cyclopentyl-3-[4-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]propanamide?
The InChIKey is GCNUFMGOMUMPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O3/c1-3-19-10-8-9-18(2)26(19)30-25(33)17-31-23-14-7-6-13-21(23)29-22(27(31)34)15-16-24(32)28-20-11-4-5-12-20/h6-10,13-14,20H,3-5,11-12,15-17H2,1-2H3,(H,28,32)(H,30,33).
What are the key properties of N-cyclopentyl-3-[4-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]propanamide?
N-cyclopentyl-3-[4-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]propanamide has a molecular weight of 460.58 g/mol, XLogP of 3.90, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[4-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]propanamide is sourced from PubChem (CID 50833144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).