N-[1-(ethylamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide

C14H20N4O2 — CID 104614761

IUPACN-[1-(ethylamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
SMILESCCNC(=O)C(C)NC(=O)c1ccc2c(c1)NCCN2
InChIInChI=1S/C14H20N4O2/c1-3-15-13(19)9(2)18-14(20)10-4-5-11-12(8-10)17-7-6-16-11/h4-5,8-9,16-17H,3,6-7H2,1-2H3,(H,15,19)(H,18,20)
InChIKeyQSTYOCNIXBGEEM-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.78
Rot. Bonds4

About N-[1-(ethylamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide

N-[1-(ethylamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide (PubChem CID 104614761) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[1-(ethylamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[1-(ethylamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
PubChem CID104614761
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC NameN-[1-(ethylamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
SMILESCCNC(=O)C(C)NC(=O)c1ccc2c(c1)NCCN2
InChIInChI=1S/C14H20N4O2/c1-3-15-13(19)9(2)18-14(20)10-4-5-11-12(8-10)17-7-6-16-11/h4-5,8-9,16-17H,3,6-7H2,1-2H3,(H,15,19)(H,18,20)
InChIKeyQSTYOCNIXBGEEM-UHFFFAOYSA-N
XLogP0.78
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614576
N-(3,3-dimethylbutan-2-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104828504
6-bromo-N-[1-(ethylamino)-1-oxopropan-2-yl]naphthalene-2-carboxamide
CID 115283084
N-[1-(ethylamino)-1-oxopropan-2-yl]-4-hydroxybenzamide
CID 60709622
4-bromo-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide
CID 51464444
4-tert-butyl-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide
CID 8750199
3,5-dibromo-N-[1-(ethylamino)-1-oxopropan-2-yl]benzamide
CID 103907452
N-butan-2-yl-N-methyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614557
N-[2-oxo-2-(propylamino)ethyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614609
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-methoxy-4-phenylmethoxybenzamide
CID 8750850
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-4-(methoxymethyl)benzamide
CID 8751184
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-(trifluoromethyl)benzamide
CID 8750240

Frequently Asked Questions

What is the IUPAC name of N-[1-(ethylamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide?
The IUPAC name of N-[1-(ethylamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide (CID 104614761) is N-[1-(ethylamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide.
What is the SMILES notation for N-[1-(ethylamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide?
The canonical SMILES for N-[1-(ethylamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide is CCNC(=O)C(C)NC(=O)c1ccc2c(c1)NCCN2.
What is the InChIKey of N-[1-(ethylamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide?
The InChIKey is QSTYOCNIXBGEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-3-15-13(19)9(2)18-14(20)10-4-5-11-12(8-10)17-7-6-16-11/h4-5,8-9,16-17H,3,6-7H2,1-2H3,(H,15,19)(H,18,20).
What are the key properties of N-[1-(ethylamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide?
N-[1-(ethylamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 0.78, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(ethylamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide is sourced from PubChem (CID 104614761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).