N-tert-butyl-3-(quinoxalin-2-ylamino)propanamide

C15H20N4O — CID 115609169

IUPACN-tert-butyl-3-(quinoxalin-2-ylamino)propanamide
SMILESCC(C)(C)NC(=O)CCNc1cnc2ccccc2n1
InChIInChI=1S/C15H20N4O/c1-15(2,3)19-14(20)8-9-16-13-10-17-11-6-4-5-7-12(11)18-13/h4-7,10H,8-9H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyUCWJFMFNKOWIOL-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.35
Rot. Bonds4

About N-tert-butyl-3-(quinoxalin-2-ylamino)propanamide

N-tert-butyl-3-(quinoxalin-2-ylamino)propanamide (PubChem CID 115609169) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-tert-butyl-3-(quinoxalin-2-ylamino)propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-(quinoxalin-2-ylamino)propanamide
PubChem CID115609169
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-tert-butyl-3-(quinoxalin-2-ylamino)propanamide
SMILESCC(C)(C)NC(=O)CCNc1cnc2ccccc2n1
InChIInChI=1S/C15H20N4O/c1-15(2,3)19-14(20)8-9-16-13-10-17-11-6-4-5-7-12(11)18-13/h4-7,10H,8-9H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyUCWJFMFNKOWIOL-UHFFFAOYSA-N
XLogP2.35
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(quinoxalin-2-ylamino)propanoate
CID 47439650
N-tert-butyl-2-(quinoxalin-2-ylamino)propanamide
CID 115596829
N-tert-butyl-3-[(2-methylpyrimidin-4-yl)amino]propanamide
CID 113243784
N-tert-butyl-3-(quinazolin-4-ylamino)propanamide
CID 115609152
N-(2-iodoethyl)quinoxalin-2-amine
CID 163768527
N-(2-methylbutan-2-yl)quinoxalin-2-amine
CID 22341074
2-methyl-2-(quinoxalin-2-ylamino)propanamide
CID 62360239
(2R)-2,3-dimethyl-1-(quinoxalin-2-ylamino)butan-2-ol
CID 95624706
6-[[3-(tert-butylamino)-3-oxopropyl]amino]pyridazine-3-carboxamide
CID 112695977
N-(2-ethylphenyl)-2-(quinoxalin-2-ylamino)acetamide
CID 33371597
3-[(5-bromo-4-methyl-2-pyridinyl)amino]-N-tert-butylpropanamide
CID 115774058
N-tert-butyl-3-(2-ethylanilino)propanamide
CID 109031330

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(quinoxalin-2-ylamino)propanamide?
The IUPAC name of N-tert-butyl-3-(quinoxalin-2-ylamino)propanamide (CID 115609169) is N-tert-butyl-3-(quinoxalin-2-ylamino)propanamide.
What is the SMILES notation for N-tert-butyl-3-(quinoxalin-2-ylamino)propanamide?
The canonical SMILES for N-tert-butyl-3-(quinoxalin-2-ylamino)propanamide is CC(C)(C)NC(=O)CCNc1cnc2ccccc2n1.
What is the InChIKey of N-tert-butyl-3-(quinoxalin-2-ylamino)propanamide?
The InChIKey is UCWJFMFNKOWIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-15(2,3)19-14(20)8-9-16-13-10-17-11-6-4-5-7-12(11)18-13/h4-7,10H,8-9H2,1-3H3,(H,16,18)(H,19,20).
What are the key properties of N-tert-butyl-3-(quinoxalin-2-ylamino)propanamide?
N-tert-butyl-3-(quinoxalin-2-ylamino)propanamide has a molecular weight of 272.35 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(quinoxalin-2-ylamino)propanamide is sourced from PubChem (CID 115609169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).