N-(1-phenylethyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide

C17H19N3O — CID 104614392

IUPACN-(1-phenylethyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
SMILESCC(NC(=O)c1cccc2c1NCCN2)c1ccccc1
InChIInChI=1S/C17H19N3O/c1-12(13-6-3-2-4-7-13)20-17(21)14-8-5-9-15-16(14)19-11-10-18-15/h2-9,12,18-19H,10-11H2,1H3,(H,20,21)
InChIKeyIGHFENKOWJKNFQ-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.02
Rot. Bonds3

About N-(1-phenylethyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide

N-(1-phenylethyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide (PubChem CID 104614392) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is N-(1-phenylethyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
PubChem CID104614392
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC NameN-(1-phenylethyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
SMILESCC(NC(=O)c1cccc2c1NCCN2)c1ccccc1
InChIInChI=1S/C17H19N3O/c1-12(13-6-3-2-4-7-13)20-17(21)14-8-5-9-15-16(14)19-11-10-18-15/h2-9,12,18-19H,10-11H2,1H3,(H,20,21)
InChIKeyIGHFENKOWJKNFQ-UHFFFAOYSA-N
XLogP3.02
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2,6-bis(1-phenylethylcarbamoyl)phenyl]-1-N,3-N-bis(1-phenylethyl)benzene-1,3-dicarboxamide
CID 570721
N-(1-methoxy-3-methylbutan-2-yl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104615108
N-(3-methylbutyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104614369
2-hydrazinyl-N-(1-phenylethyl)benzamide
CID 62248479
2-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 681346
N-(1-phenylethyl)-2-sulfanylbenzamide
CID 113218601
2-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 689982
2-N-(1-phenylethyl)benzene-1,2-dicarboxamide
CID 22396198
2-[[(1S)-1-phenylethyl]carbamoyl]benzoate
CID 6929624
N-[(1S)-1-phenylethyl]-2-[[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]diselanyl]benzamide
CID 10531743
2-amino-3-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 30117627
3-amino-2-methoxy-N-[(1S)-1-phenylethyl]benzamide
CID 107863919

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide?
The IUPAC name of N-(1-phenylethyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide (CID 104614392) is N-(1-phenylethyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide.
What is the SMILES notation for N-(1-phenylethyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide?
The canonical SMILES for N-(1-phenylethyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide is CC(NC(=O)c1cccc2c1NCCN2)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide?
The InChIKey is IGHFENKOWJKNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-12(13-6-3-2-4-7-13)20-17(21)14-8-5-9-15-16(14)19-11-10-18-15/h2-9,12,18-19H,10-11H2,1H3,(H,20,21).
What are the key properties of N-(1-phenylethyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide?
N-(1-phenylethyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 3.02, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide is sourced from PubChem (CID 104614392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).