N-(2-hydroxyethyl)-4-[3-(3-methoxyquinoxalin-2-yl)propanoylamino]cyclohexane-1-carboxamide

C21H28N4O4 — CID 169419684

IUPACN-(2-hydroxyethyl)-4-[3-(3-methoxyquinoxalin-2-yl)propanoylamino]cyclohexane-1-carboxamide
SMILESCOc1nc2ccccc2nc1CCC(=O)NC1CCC(C(=O)NCCO)CC1
InChIInChI=1S/C21H28N4O4/c1-29-21-18(24-16-4-2-3-5-17(16)25-21)10-11-19(27)23-15-8-6-14(7-9-15)20(28)22-12-13-26/h2-5,14-15,26H,6-13H2,1H3,(H,22,28)(H,23,27)
InChIKeyWVWYTGUNCRVJSQ-UHFFFAOYSA-N
MW400.48 g/mol
LogP1.35
Rot. Bonds8

About N-(2-hydroxyethyl)-4-[3-(3-methoxyquinoxalin-2-yl)propanoylamino]cyclohexane-1-carboxamide

N-(2-hydroxyethyl)-4-[3-(3-methoxyquinoxalin-2-yl)propanoylamino]cyclohexane-1-carboxamide (PubChem CID 169419684) has the molecular formula C21H28N4O4 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-4-[3-(3-methoxyquinoxalin-2-yl)propanoylamino]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-4-[3-(3-methoxyquinoxalin-2-yl)propanoylamino]cyclohexane-1-carboxamide
PubChem CID169419684
Molecular FormulaC21H28N4O4
Molecular Weight400.48 g/mol
Exact Mass400.21
IUPAC NameN-(2-hydroxyethyl)-4-[3-(3-methoxyquinoxalin-2-yl)propanoylamino]cyclohexane-1-carboxamide
SMILESCOc1nc2ccccc2nc1CCC(=O)NC1CCC(C(=O)NCCO)CC1
InChIInChI=1S/C21H28N4O4/c1-29-21-18(24-16-4-2-3-5-17(16)25-21)10-11-19(27)23-15-8-6-14(7-9-15)20(28)22-12-13-26/h2-5,14-15,26H,6-13H2,1H3,(H,22,28)(H,23,27)
InChIKeyWVWYTGUNCRVJSQ-UHFFFAOYSA-N
XLogP1.35
TPSA113.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-(2-hydroxyethyl)-4-[3-(3-methoxyquinoxalin-2-yl)propanoylamino]cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cycloheptyl-3-(3-methoxyquinoxalin-2-yl)propanamide
CID 6458077
3-(3-methoxyquinoxalin-2-yl)-N-phenylpropanamide
CID 6460420
1-(azepan-1-yl)-3-(3-methoxyquinoxalin-2-yl)propan-1-one
CID 163338550
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(3-methoxyquinoxalin-2-yl)propanamide
CID 97154007
N-[4-(cyclopropylamino)-4-oxobutyl]cyclopropanecarboxamide
CID 84505349
4-[3-(1,3-benzothiazol-2-yl)propanoylamino]cyclohexane-1-carboxylic acid
CID 163306556
3-(3-methoxyquinoxalin-2-yl)-1-[(3S)-3-phenylpyrrolidin-1-yl]propan-1-one
CID 92625835
N-(4-chlorocyclohexyl)-3-(4-methoxyphenyl)propanamide
CID 114297242
4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 79395809
N-cyclopropyl-3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]propanamide
CID 79386217
N-[2-(3-phenylpropanoylamino)ethyl]cyclopropanecarboxamide
CID 51165684
N-cyclopropyl-3-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]propanamide
CID 110333079

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-4-[3-(3-methoxyquinoxalin-2-yl)propanoylamino]cyclohexane-1-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-4-[3-(3-methoxyquinoxalin-2-yl)propanoylamino]cyclohexane-1-carboxamide (CID 169419684) is N-(2-hydroxyethyl)-4-[3-(3-methoxyquinoxalin-2-yl)propanoylamino]cyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-4-[3-(3-methoxyquinoxalin-2-yl)propanoylamino]cyclohexane-1-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-4-[3-(3-methoxyquinoxalin-2-yl)propanoylamino]cyclohexane-1-carboxamide is COc1nc2ccccc2nc1CCC(=O)NC1CCC(C(=O)NCCO)CC1.
What is the InChIKey of N-(2-hydroxyethyl)-4-[3-(3-methoxyquinoxalin-2-yl)propanoylamino]cyclohexane-1-carboxamide?
The InChIKey is WVWYTGUNCRVJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O4/c1-29-21-18(24-16-4-2-3-5-17(16)25-21)10-11-19(27)23-15-8-6-14(7-9-15)20(28)22-12-13-26/h2-5,14-15,26H,6-13H2,1H3,(H,22,28)(H,23,27).
What are the key properties of N-(2-hydroxyethyl)-4-[3-(3-methoxyquinoxalin-2-yl)propanoylamino]cyclohexane-1-carboxamide?
N-(2-hydroxyethyl)-4-[3-(3-methoxyquinoxalin-2-yl)propanoylamino]cyclohexane-1-carboxamide has a molecular weight of 400.48 g/mol, XLogP of 1.35, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-4-[3-(3-methoxyquinoxalin-2-yl)propanoylamino]cyclohexane-1-carboxamide is sourced from PubChem (CID 169419684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).