2-amino-2-ethyl-N-quinolin-6-ylbutanamide

C15H19N3O — CID 79814610

IUPAC2-amino-2-ethyl-N-quinolin-6-ylbutanamide
SMILESCCC(N)(CC)C(=O)Nc1ccc2ncccc2c1
InChIInChI=1S/C15H19N3O/c1-3-15(16,4-2)14(19)18-12-7-8-13-11(10-12)6-5-9-17-13/h5-10H,3-4,16H2,1-2H3,(H,18,19)
InChIKeyBOQTWLANHNYWSQ-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.69
Rot. Bonds4

About 2-amino-2-ethyl-N-quinolin-6-ylbutanamide

2-amino-2-ethyl-N-quinolin-6-ylbutanamide (PubChem CID 79814610) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-amino-2-ethyl-N-quinolin-6-ylbutanamide.

Molecular Properties

Compound Name2-amino-2-ethyl-N-quinolin-6-ylbutanamide
PubChem CID79814610
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-amino-2-ethyl-N-quinolin-6-ylbutanamide
SMILESCCC(N)(CC)C(=O)Nc1ccc2ncccc2c1
InChIInChI=1S/C15H19N3O/c1-3-15(16,4-2)14(19)18-12-7-8-13-11(10-12)6-5-9-17-13/h5-10H,3-4,16H2,1-2H3,(H,18,19)
InChIKeyBOQTWLANHNYWSQ-UHFFFAOYSA-N
XLogP2.69
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-methyl-N-quinolin-6-ylbutanamide
CID 79811443
2-amino-2-methyl-N-quinolin-6-ylpropanamide
CID 62636163
N,N'-di(quinolin-6-yl)propanediamide
CID 2837594
2-chloro-N-quinolin-6-ylacetamide
CID 3144388
2-amino-N-(1,3-benzothiazol-6-yl)-2-ethylbutanamide
CID 107805169
6-amino-4,4-dimethyl-N-quinolin-6-ylhexanamide
CID 65291463
ethyl 4-(quinolin-6-ylcarbamoylamino)benzoate
CID 165177435
(2S)-2-amino-4-methyl-N-quinolin-6-ylpentanamide
CID 14310136
N-quinolin-6-ylbenzamide
CID 833617
quinolin-6-ylthiourea
CID 1480925
(3R)-3-methyl-N'-quinolin-6-ylpentanediamide
CID 173104431
2-ethyl-2-[(quinolin-6-ylamino)methyl]butan-1-ol
CID 81418945

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethyl-N-quinolin-6-ylbutanamide?
The IUPAC name of 2-amino-2-ethyl-N-quinolin-6-ylbutanamide (CID 79814610) is 2-amino-2-ethyl-N-quinolin-6-ylbutanamide.
What is the SMILES notation for 2-amino-2-ethyl-N-quinolin-6-ylbutanamide?
The canonical SMILES for 2-amino-2-ethyl-N-quinolin-6-ylbutanamide is CCC(N)(CC)C(=O)Nc1ccc2ncccc2c1.
What is the InChIKey of 2-amino-2-ethyl-N-quinolin-6-ylbutanamide?
The InChIKey is BOQTWLANHNYWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-3-15(16,4-2)14(19)18-12-7-8-13-11(10-12)6-5-9-17-13/h5-10H,3-4,16H2,1-2H3,(H,18,19).
What are the key properties of 2-amino-2-ethyl-N-quinolin-6-ylbutanamide?
2-amino-2-ethyl-N-quinolin-6-ylbutanamide has a molecular weight of 257.34 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyl-N-quinolin-6-ylbutanamide is sourced from PubChem (CID 79814610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).