3-amino-N-(3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride

C12H17ClN2O2 — CID 119268905

IUPAC3-amino-N-(3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride
SMILESCl.NCCC(=O)NC1CCOc2ccccc21
InChIInChI=1S/C12H16N2O2.ClH/c13-7-5-12(15)14-10-6-8-16-11-4-2-1-3-9(10)11;/h1-4,10H,5-8,13H2,(H,14,15);1H
InChIKeyQULXFGPDKAHPBL-UHFFFAOYSA-N
MW256.73 g/mol
LogP1.40
Rot. Bonds3

About 3-amino-N-(3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride

3-amino-N-(3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride (PubChem CID 119268905) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 3-amino-N-(3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride
PubChem CID119268905
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name3-amino-N-(3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride
SMILESCl.NCCC(=O)NC1CCOc2ccccc21
InChIInChI=1S/C12H16N2O2.ClH/c13-7-5-12(15)14-10-6-8-16-11-4-2-1-3-9(10)11;/h1-4,10H,5-8,13H2,(H,14,15);1H
InChIKeyQULXFGPDKAHPBL-UHFFFAOYSA-N
XLogP1.40
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-(3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride 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

5-(3,4-dihydro-2H-chromen-4-ylamino)-5-oxopentanoic acid
CID 43580055
4-chloro-N-(3,4-dihydro-2H-chromen-4-yl)butanamide
CID 63309102
N-(3,4-dihydro-2H-chromen-4-yl)-3-(2-fluorophenyl)sulfanylpropanamide
CID 18096155
N-(3,4-dihydro-2H-chromen-4-yl)-3-thiophen-2-ylpropanamide
CID 46524081
2-(4-aminopiperidin-1-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide;hydrochloride
CID 119907719
N-(3,4-dihydro-2H-chromen-4-yl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 18164395
3-(4-chlorophenyl)sulfonyl-N-(3,4-dihydro-2H-chromen-4-yl)propanamide
CID 18193013
N-(3,4-dihydro-2H-chromen-4-yl)-2-naphthalen-1-ylacetamide
CID 18115215
3-amino-N-(3,4-dihydro-2H-chromen-4-yl)-2-phenylpropanamide;hydrochloride
CID 119685133
2-chloro-N-[3-(3,4-dihydro-2H-chromen-4-ylamino)-3-oxopropyl]benzamide
CID 17468818
4-bromo-N-[3-(3,4-dihydro-2H-chromen-4-ylamino)-3-oxopropyl]benzamide
CID 18164433
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(1,2,4-triazol-1-yl)propanamide
CID 31336256

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride?
The IUPAC name of 3-amino-N-(3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride (CID 119268905) is 3-amino-N-(3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride is Cl.NCCC(=O)NC1CCOc2ccccc21.
What is the InChIKey of 3-amino-N-(3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride?
The InChIKey is QULXFGPDKAHPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2.ClH/c13-7-5-12(15)14-10-6-8-16-11-4-2-1-3-9(10)11;/h1-4,10H,5-8,13H2,(H,14,15);1H.
What are the key properties of 3-amino-N-(3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride?
3-amino-N-(3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride has a molecular weight of 256.73 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride is sourced from PubChem (CID 119268905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).