N-tert-butyl-2-(quinoxalin-2-ylamino)propanamide

C15H20N4O — CID 115596829

IUPACN-tert-butyl-2-(quinoxalin-2-ylamino)propanamide
SMILESCC(Nc1cnc2ccccc2n1)C(=O)NC(C)(C)C
InChIInChI=1S/C15H20N4O/c1-10(14(20)19-15(2,3)4)17-13-9-16-11-7-5-6-8-12(11)18-13/h5-10H,1-4H3,(H,17,18)(H,19,20)
InChIKeyHTZIECDHECRHOJ-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.34
Rot. Bonds3

About N-tert-butyl-2-(quinoxalin-2-ylamino)propanamide

N-tert-butyl-2-(quinoxalin-2-ylamino)propanamide (PubChem CID 115596829) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-tert-butyl-2-(quinoxalin-2-ylamino)propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-(quinoxalin-2-ylamino)propanamide
PubChem CID115596829
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-tert-butyl-2-(quinoxalin-2-ylamino)propanamide
SMILESCC(Nc1cnc2ccccc2n1)C(=O)NC(C)(C)C
InChIInChI=1S/C15H20N4O/c1-10(14(20)19-15(2,3)4)17-13-9-16-11-7-5-6-8-12(11)18-13/h5-10H,1-4H3,(H,17,18)(H,19,20)
InChIKeyHTZIECDHECRHOJ-UHFFFAOYSA-N
XLogP2.34
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-3-(quinoxalin-2-ylamino)propanamide
CID 115609169
(2R)-N-tert-butyl-2-(pyrazin-2-ylamino)propanamide
CID 129379444
(2S)-2-anilino-N-tert-butylpropanamide
CID 28840351
N-(1-thiophen-2-ylethyl)quinoxalin-2-amine
CID 47142874
N-(1-pyridin-4-ylethyl)quinoxalin-2-amine
CID 55024904
2-methyl-2-(quinoxalin-2-ylamino)propanamide
CID 62360239
N-tert-butyl-2-[(5-nitro-2-pyridinyl)amino]propanamide
CID 112687594
2-[(5-bromopyrimidin-2-yl)amino]-N-tert-butylpropanamide
CID 112690234
N-[1-(4-chlorophenyl)ethyl]quinoxalin-2-amine
CID 60716470
N-tert-butyl-2-[(2,6-dimethylpyrimidin-4-yl)amino]propanamide
CID 112690921
N-tert-butyl-2-(naphthalen-2-ylamino)propanamide
CID 43401178
(2R)-2,3-dimethyl-1-(quinoxalin-2-ylamino)butan-2-ol
CID 95624706

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(quinoxalin-2-ylamino)propanamide?
The IUPAC name of N-tert-butyl-2-(quinoxalin-2-ylamino)propanamide (CID 115596829) is N-tert-butyl-2-(quinoxalin-2-ylamino)propanamide.
What is the SMILES notation for N-tert-butyl-2-(quinoxalin-2-ylamino)propanamide?
The canonical SMILES for N-tert-butyl-2-(quinoxalin-2-ylamino)propanamide is CC(Nc1cnc2ccccc2n1)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-(quinoxalin-2-ylamino)propanamide?
The InChIKey is HTZIECDHECRHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-10(14(20)19-15(2,3)4)17-13-9-16-11-7-5-6-8-12(11)18-13/h5-10H,1-4H3,(H,17,18)(H,19,20).
What are the key properties of N-tert-butyl-2-(quinoxalin-2-ylamino)propanamide?
N-tert-butyl-2-(quinoxalin-2-ylamino)propanamide has a molecular weight of 272.35 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(quinoxalin-2-ylamino)propanamide is sourced from PubChem (CID 115596829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).