(2R)-2-amino-3,3-dimethyl-N-quinoxalin-6-ylbutanamide

C14H18N4O — CID 103929010

IUPAC(2R)-2-amino-3,3-dimethyl-N-quinoxalin-6-ylbutanamide
SMILESCC(C)(C)[C@@H](N)C(=O)Nc1ccc2nccnc2c1
InChIInChI=1S/C14H18N4O/c1-14(2,3)12(15)13(19)18-9-4-5-10-11(8-9)17-7-6-16-10/h4-8,12H,15H2,1-3H3,(H,18,19)/t12-/m0/s1
InChIKeyRRKJTXWHUXHYEV-LBPRGKRZSA-N
MW258.32 g/mol
LogP1.94
Rot. Bonds2

About (2R)-2-amino-3,3-dimethyl-N-quinoxalin-6-ylbutanamide

(2R)-2-amino-3,3-dimethyl-N-quinoxalin-6-ylbutanamide (PubChem CID 103929010) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is (2R)-2-amino-3,3-dimethyl-N-quinoxalin-6-ylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-3,3-dimethyl-N-quinoxalin-6-ylbutanamide
PubChem CID103929010
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name(2R)-2-amino-3,3-dimethyl-N-quinoxalin-6-ylbutanamide
SMILESCC(C)(C)[C@@H](N)C(=O)Nc1ccc2nccnc2c1
InChIInChI=1S/C14H18N4O/c1-14(2,3)12(15)13(19)18-9-4-5-10-11(8-9)17-7-6-16-10/h4-8,12H,15H2,1-3H3,(H,18,19)/t12-/m0/s1
InChIKeyRRKJTXWHUXHYEV-LBPRGKRZSA-N
XLogP1.94
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(2H-benzotriazol-5-yl)-3,3-dimethylbutanamide
CID 119706416
(2R)-2-amino-3,3-dimethyl-N-(2-methyl-4-pyridinyl)butanamide
CID 103930161
3-amino-2,2,3-trimethyl-N-quinoxalin-6-ylbutanamide
CID 65269314
(2S)-2-amino-4-methyl-N-quinoxalin-6-ylpentanamide
CID 61179769
2-amino-N-(3,4-dichlorophenyl)-3,3-dimethylbutanamide
CID 70963721
2-chloro-N-quinoxalin-6-ylpropanamide
CID 60933766
(2S)-2-amino-3,3-dimethyl-N-(4-pyridin-4-ylphenyl)butanamide
CID 175833956
3,3-dimethyl-N-quinoxalin-6-ylbutanamide
CID 47254889
2-amino-N-[4-(carbamoylamino)phenyl]-3,3-dimethylbutanamide
CID 76887492
N-(3-acetamidophenyl)-2-amino-3,3-dimethylbutanamide
CID 76891982
2-amino-N-(4-bromo-3-methylphenyl)-3,3-dimethylbutanamide
CID 76891825
(2S)-2-amino-N-(6-fluoro-3-pyridinyl)-3,3-dimethylbutanamide
CID 103808708

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3,3-dimethyl-N-quinoxalin-6-ylbutanamide?
The IUPAC name of (2R)-2-amino-3,3-dimethyl-N-quinoxalin-6-ylbutanamide (CID 103929010) is (2R)-2-amino-3,3-dimethyl-N-quinoxalin-6-ylbutanamide.
What is the SMILES notation for (2R)-2-amino-3,3-dimethyl-N-quinoxalin-6-ylbutanamide?
The canonical SMILES for (2R)-2-amino-3,3-dimethyl-N-quinoxalin-6-ylbutanamide is CC(C)(C)[C@@H](N)C(=O)Nc1ccc2nccnc2c1.
What is the InChIKey of (2R)-2-amino-3,3-dimethyl-N-quinoxalin-6-ylbutanamide?
The InChIKey is RRKJTXWHUXHYEV-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18N4O/c1-14(2,3)12(15)13(19)18-9-4-5-10-11(8-9)17-7-6-16-10/h4-8,12H,15H2,1-3H3,(H,18,19)/t12-/m0/s1.
What are the key properties of (2R)-2-amino-3,3-dimethyl-N-quinoxalin-6-ylbutanamide?
(2R)-2-amino-3,3-dimethyl-N-quinoxalin-6-ylbutanamide has a molecular weight of 258.32 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3,3-dimethyl-N-quinoxalin-6-ylbutanamide is sourced from PubChem (CID 103929010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).