N-(2-methyl-6-propan-2-ylphenyl)-2-[methyl(quinoxalin-2-ylmethyl)amino]acetamide

C22H26N4O — CID 50949934

IUPACN-(2-methyl-6-propan-2-ylphenyl)-2-[methyl(quinoxalin-2-ylmethyl)amino]acetamide
SMILESCc1cccc(C(C)C)c1NC(=O)CN(C)Cc1cnc2ccccc2n1
InChIInChI=1S/C22H26N4O/c1-15(2)18-9-7-8-16(3)22(18)25-21(27)14-26(4)13-17-12-23-19-10-5-6-11-20(19)24-17/h5-12,15H,13-14H2,1-4H3,(H,25,27)
InChIKeyMSSGPAHVVGSRCQ-UHFFFAOYSA-N
MW362.48 g/mol
LogP4.13
Rot. Bonds6

About N-(2-methyl-6-propan-2-ylphenyl)-2-[methyl(quinoxalin-2-ylmethyl)amino]acetamide

N-(2-methyl-6-propan-2-ylphenyl)-2-[methyl(quinoxalin-2-ylmethyl)amino]acetamide (PubChem CID 50949934) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is N-(2-methyl-6-propan-2-ylphenyl)-2-[methyl(quinoxalin-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-methyl-6-propan-2-ylphenyl)-2-[methyl(quinoxalin-2-ylmethyl)amino]acetamide
PubChem CID50949934
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC NameN-(2-methyl-6-propan-2-ylphenyl)-2-[methyl(quinoxalin-2-ylmethyl)amino]acetamide
SMILESCc1cccc(C(C)C)c1NC(=O)CN(C)Cc1cnc2ccccc2n1
InChIInChI=1S/C22H26N4O/c1-15(2)18-9-7-8-16(3)22(18)25-21(27)14-26(4)13-17-12-23-19-10-5-6-11-20(19)24-17/h5-12,15H,13-14H2,1-4H3,(H,25,27)
InChIKeyMSSGPAHVVGSRCQ-UHFFFAOYSA-N
XLogP4.13
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl(methyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 60516691
3-[methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]propanoic acid;hydrochloride
CID 119911846
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 9024007
2-[methyl(methylsulfonyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 30464682
N-(2-methyl-6-propan-2-ylphenyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
CID 35501492
2-[methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]propanoic acid;hydrochloride
CID 119913236
2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113162240
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 9252437
N-[2,6-di(propan-2-yl)phenyl]-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 111488372
2-[acetyl(pyridin-3-ylmethyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113163658
2-[[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 9047863
2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 51171522

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-2-[methyl(quinoxalin-2-ylmethyl)amino]acetamide?
The IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-2-[methyl(quinoxalin-2-ylmethyl)amino]acetamide (CID 50949934) is N-(2-methyl-6-propan-2-ylphenyl)-2-[methyl(quinoxalin-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(2-methyl-6-propan-2-ylphenyl)-2-[methyl(quinoxalin-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-(2-methyl-6-propan-2-ylphenyl)-2-[methyl(quinoxalin-2-ylmethyl)amino]acetamide is Cc1cccc(C(C)C)c1NC(=O)CN(C)Cc1cnc2ccccc2n1.
What is the InChIKey of N-(2-methyl-6-propan-2-ylphenyl)-2-[methyl(quinoxalin-2-ylmethyl)amino]acetamide?
The InChIKey is MSSGPAHVVGSRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-15(2)18-9-7-8-16(3)22(18)25-21(27)14-26(4)13-17-12-23-19-10-5-6-11-20(19)24-17/h5-12,15H,13-14H2,1-4H3,(H,25,27).
What are the key properties of N-(2-methyl-6-propan-2-ylphenyl)-2-[methyl(quinoxalin-2-ylmethyl)amino]acetamide?
N-(2-methyl-6-propan-2-ylphenyl)-2-[methyl(quinoxalin-2-ylmethyl)amino]acetamide has a molecular weight of 362.48 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-6-propan-2-ylphenyl)-2-[methyl(quinoxalin-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 50949934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).