2,2-dimethyl-3-(quinolin-2-ylamino)propanamide

C14H17N3O — CID 113224831

IUPAC2,2-dimethyl-3-(quinolin-2-ylamino)propanamide
SMILESCC(C)(CNc1ccc2ccccc2n1)C(N)=O
InChIInChI=1S/C14H17N3O/c1-14(2,13(15)18)9-16-12-8-7-10-5-3-4-6-11(10)17-12/h3-8H,9H2,1-2H3,(H2,15,18)(H,16,17)
InChIKeyBDBGVUJSHOVRQP-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.16
Rot. Bonds4

About 2,2-dimethyl-3-(quinolin-2-ylamino)propanamide

2,2-dimethyl-3-(quinolin-2-ylamino)propanamide (PubChem CID 113224831) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2,2-dimethyl-3-(quinolin-2-ylamino)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-3-(quinolin-2-ylamino)propanamide
PubChem CID113224831
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2,2-dimethyl-3-(quinolin-2-ylamino)propanamide
SMILESCC(C)(CNc1ccc2ccccc2n1)C(N)=O
InChIInChI=1S/C14H17N3O/c1-14(2,13(15)18)9-16-12-8-7-10-5-3-4-6-11(10)17-12/h3-8H,9H2,1-2H3,(H2,15,18)(H,16,17)
InChIKeyBDBGVUJSHOVRQP-UHFFFAOYSA-N
XLogP2.16
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-3-(quinolin-2-ylamino)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(4-carbamothioylquinolin-2-yl)amino]-2,2-dimethylpropanamide
CID 106277562
3-[(6-amino-2-pyridinyl)amino]-2,2-dimethylpropanamide
CID 106280453
N-(2-methyl-2-phenylpropyl)quinolin-2-amine
CID 63541485
2,2-difluoro-3-(quinolin-2-ylamino)propan-1-ol
CID 104858613
3-[(6-methoxy-2-pyridinyl)amino]-2,2-dimethylpropanamide
CID 106277902
3-[(3-cyanoquinolin-2-yl)amino]-2,2-dimethylpropanamide
CID 103736415
N-ethyl-2-(quinolin-2-ylamino)acetamide
CID 43398620
3-[(2-chloropyrimidin-4-yl)amino]-2,2-dimethylpropanamide
CID 103761458
methyl 3-(quinolin-2-ylamino)propanoate
CID 60632060
2-amino-N-quinolin-2-ylacetamide
CID 54505370
2,2,3-trimethyl-3-(quinolin-2-ylamino)butanoic acid
CID 65266135
2,2-dimethylbutanamide;quinoline
CID 174754953

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(quinolin-2-ylamino)propanamide?
The IUPAC name of 2,2-dimethyl-3-(quinolin-2-ylamino)propanamide (CID 113224831) is 2,2-dimethyl-3-(quinolin-2-ylamino)propanamide.
What is the SMILES notation for 2,2-dimethyl-3-(quinolin-2-ylamino)propanamide?
The canonical SMILES for 2,2-dimethyl-3-(quinolin-2-ylamino)propanamide is CC(C)(CNc1ccc2ccccc2n1)C(N)=O.
What is the InChIKey of 2,2-dimethyl-3-(quinolin-2-ylamino)propanamide?
The InChIKey is BDBGVUJSHOVRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-14(2,13(15)18)9-16-12-8-7-10-5-3-4-6-11(10)17-12/h3-8H,9H2,1-2H3,(H2,15,18)(H,16,17).
What are the key properties of 2,2-dimethyl-3-(quinolin-2-ylamino)propanamide?
2,2-dimethyl-3-(quinolin-2-ylamino)propanamide has a molecular weight of 243.31 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(quinolin-2-ylamino)propanamide is sourced from PubChem (CID 113224831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).