N-[3-[(4-ethyl-2,3-dihydroquinoxalin-1-yl)methyl]phenyl]acetamide

C19H23N3O — CID 99816656

IUPACN-[3-[(4-ethyl-2,3-dihydroquinoxalin-1-yl)methyl]phenyl]acetamide
SMILESCCN1CCN(Cc2cccc(NC(C)=O)c2)c2ccccc21
InChIInChI=1S/C19H23N3O/c1-3-21-11-12-22(19-10-5-4-9-18(19)21)14-16-7-6-8-17(13-16)20-15(2)23/h4-10,13H,3,11-12,14H2,1-2H3,(H,20,23)
InChIKeyZCPOVUDNIGEWIK-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.49
Rot. Bonds4

About N-[3-[(4-ethyl-2,3-dihydroquinoxalin-1-yl)methyl]phenyl]acetamide

N-[3-[(4-ethyl-2,3-dihydroquinoxalin-1-yl)methyl]phenyl]acetamide (PubChem CID 99816656) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is N-[3-[(4-ethyl-2,3-dihydroquinoxalin-1-yl)methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(4-ethyl-2,3-dihydroquinoxalin-1-yl)methyl]phenyl]acetamide
PubChem CID99816656
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC NameN-[3-[(4-ethyl-2,3-dihydroquinoxalin-1-yl)methyl]phenyl]acetamide
SMILESCCN1CCN(Cc2cccc(NC(C)=O)c2)c2ccccc21
InChIInChI=1S/C19H23N3O/c1-3-21-11-12-22(19-10-5-4-9-18(19)21)14-16-7-6-8-17(13-16)20-15(2)23/h4-10,13H,3,11-12,14H2,1-2H3,(H,20,23)
InChIKeyZCPOVUDNIGEWIK-UHFFFAOYSA-N
XLogP3.49
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 110921338
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N-[3-(ethylaminomethyl)phenyl]acetamide
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N-[3-(sulfanylmethyl)phenyl]acetamide
CID 17308
N-[3-[[(2S)-2-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]pyrrolidin-1-yl]methyl]phenyl]acetamide
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N-[3-[(4-methyl-5-oxo-1,2,4-triazol-1-yl)methyl]phenyl]acetamide
CID 75390996
N-[3-(aminomethyl)phenyl]acetamide;hydrochloride
CID 2760945
N-(4-acetamidophenyl)-4-(2,3-dihydroindol-1-ylmethyl)benzamide
CID 46771578
3-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]but-2-enamide
CID 30875155
N-[3-[[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]acetamide
CID 75494688
N-(4-acetamidophenyl)-2-[4-[(3-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide
CID 53063997
N-[3-[[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]methyl]phenyl]acetamide
CID 120762205

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-ethyl-2,3-dihydroquinoxalin-1-yl)methyl]phenyl]acetamide?
The IUPAC name of N-[3-[(4-ethyl-2,3-dihydroquinoxalin-1-yl)methyl]phenyl]acetamide (CID 99816656) is N-[3-[(4-ethyl-2,3-dihydroquinoxalin-1-yl)methyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[(4-ethyl-2,3-dihydroquinoxalin-1-yl)methyl]phenyl]acetamide?
The canonical SMILES for N-[3-[(4-ethyl-2,3-dihydroquinoxalin-1-yl)methyl]phenyl]acetamide is CCN1CCN(Cc2cccc(NC(C)=O)c2)c2ccccc21.
What is the InChIKey of N-[3-[(4-ethyl-2,3-dihydroquinoxalin-1-yl)methyl]phenyl]acetamide?
The InChIKey is ZCPOVUDNIGEWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-3-21-11-12-22(19-10-5-4-9-18(19)21)14-16-7-6-8-17(13-16)20-15(2)23/h4-10,13H,3,11-12,14H2,1-2H3,(H,20,23).
What are the key properties of N-[3-[(4-ethyl-2,3-dihydroquinoxalin-1-yl)methyl]phenyl]acetamide?
N-[3-[(4-ethyl-2,3-dihydroquinoxalin-1-yl)methyl]phenyl]acetamide has a molecular weight of 309.41 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-ethyl-2,3-dihydroquinoxalin-1-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 99816656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).