N-[3-[hydroxy(phenyl)methyl]quinoxalin-2-yl]-2,2-dimethylpropanamide

C20H21N3O2 — CID 10337037

IUPACN-[3-[hydroxy(phenyl)methyl]quinoxalin-2-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1nc2ccccc2nc1C(O)c1ccccc1
InChIInChI=1S/C20H21N3O2/c1-20(2,3)19(25)23-18-16(17(24)13-9-5-4-6-10-13)21-14-11-7-8-12-15(14)22-18/h4-12,17,24H,1-3H3,(H,22,23,25)
InChIKeyAYWPIGDPRYQOLW-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.70
Rot. Bonds3

About N-[3-[hydroxy(phenyl)methyl]quinoxalin-2-yl]-2,2-dimethylpropanamide

N-[3-[hydroxy(phenyl)methyl]quinoxalin-2-yl]-2,2-dimethylpropanamide (PubChem CID 10337037) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[3-[hydroxy(phenyl)methyl]quinoxalin-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-[hydroxy(phenyl)methyl]quinoxalin-2-yl]-2,2-dimethylpropanamide
PubChem CID10337037
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-[3-[hydroxy(phenyl)methyl]quinoxalin-2-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1nc2ccccc2nc1C(O)c1ccccc1
InChIInChI=1S/C20H21N3O2/c1-20(2,3)19(25)23-18-16(17(24)13-9-5-4-6-10-13)21-14-11-7-8-12-15(14)22-18/h4-12,17,24H,1-3H3,(H,22,23,25)
InChIKeyAYWPIGDPRYQOLW-UHFFFAOYSA-N
XLogP3.70
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-chloro-4-[(S)-hydroxy(phenyl)methyl]-5-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide
CID 97455869
2,2-dimethyl-N-[2-[(R)-phenyl(trimethylstannyl)methyl]phenyl]propanamide
CID 177388876
2,2-dimethyl-N-(1-phenylethyl)propanamide
CID 4252554
N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-2,2-dimethylpropanamide
CID 15210216
N-isoquinolin-1-yl-2,2-dimethylpropanamide
CID 598735
2,2-dimethyl-N-[2-[phenyl(sulfanyl)methyl]phenyl]propanamide
CID 10828026
N-[3-[(1S)-1-hydroxyethyl]phenyl]-2,2-dimethylpropanamide
CID 93090529
N-(3-bromoquinoxalin-2-yl)-2,2,2-trifluoroacetamide
CID 11244107
N-(2-amino-2-phenylethyl)-2,2-dimethylpropanamide;hydrochloride
CID 119529465
N-anthracen-2-yl-2,2-dimethylpropanamide
CID 19044653
N'-(2,2-diphenylacetyl)-2,2-dimethylpropanehydrazide
CID 4927491
CID 89491536
CID 89491536

Frequently Asked Questions

What is the IUPAC name of N-[3-[hydroxy(phenyl)methyl]quinoxalin-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-[hydroxy(phenyl)methyl]quinoxalin-2-yl]-2,2-dimethylpropanamide (CID 10337037) is N-[3-[hydroxy(phenyl)methyl]quinoxalin-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-[hydroxy(phenyl)methyl]quinoxalin-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-[hydroxy(phenyl)methyl]quinoxalin-2-yl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1nc2ccccc2nc1C(O)c1ccccc1.
What is the InChIKey of N-[3-[hydroxy(phenyl)methyl]quinoxalin-2-yl]-2,2-dimethylpropanamide?
The InChIKey is AYWPIGDPRYQOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-20(2,3)19(25)23-18-16(17(24)13-9-5-4-6-10-13)21-14-11-7-8-12-15(14)22-18/h4-12,17,24H,1-3H3,(H,22,23,25).
What are the key properties of N-[3-[hydroxy(phenyl)methyl]quinoxalin-2-yl]-2,2-dimethylpropanamide?
N-[3-[hydroxy(phenyl)methyl]quinoxalin-2-yl]-2,2-dimethylpropanamide has a molecular weight of 335.41 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[hydroxy(phenyl)methyl]quinoxalin-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 10337037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).