2-amino-N-(2-oxochromen-6-yl)-3-phenylpropanamide;hydrochloride

C18H17ClN2O3 — CID 139945933

IUPAC2-amino-N-(2-oxochromen-6-yl)-3-phenylpropanamide;hydrochloride
SMILESCl.NC(Cc1ccccc1)C(=O)Nc1ccc2oc(=O)ccc2c1
InChIInChI=1S/C18H16N2O3.ClH/c19-15(10-12-4-2-1-3-5-12)18(22)20-14-7-8-16-13(11-14)6-9-17(21)23-16;/h1-9,11,15H,10,19H2,(H,20,22);1H
InChIKeyCIFLZOVJUOWJOC-UHFFFAOYSA-N
MW344.80 g/mol
LogP2.72
Rot. Bonds4

About 2-amino-N-(2-oxochromen-6-yl)-3-phenylpropanamide;hydrochloride

2-amino-N-(2-oxochromen-6-yl)-3-phenylpropanamide;hydrochloride (PubChem CID 139945933) has the molecular formula C18H17ClN2O3 and a molecular weight of 344.80 g/mol. Its IUPAC name is 2-amino-N-(2-oxochromen-6-yl)-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(2-oxochromen-6-yl)-3-phenylpropanamide;hydrochloride
PubChem CID139945933
Molecular FormulaC18H17ClN2O3
Molecular Weight344.80 g/mol
Exact Mass344.09
IUPAC Name2-amino-N-(2-oxochromen-6-yl)-3-phenylpropanamide;hydrochloride
SMILESCl.NC(Cc1ccccc1)C(=O)Nc1ccc2oc(=O)ccc2c1
InChIInChI=1S/C18H16N2O3.ClH/c19-15(10-12-4-2-1-3-5-12)18(22)20-14-7-8-16-13(11-14)6-9-17(21)23-16;/h1-9,11,15H,10,19H2,(H,20,22);1H
InChIKeyCIFLZOVJUOWJOC-UHFFFAOYSA-N
XLogP2.72
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-naphthalen-2-yl-3-phenylpropanamide
CID 577793
2-methyl-N-(2-oxochromen-6-yl)butanamide
CID 47294321
(2-oxochromen-6-yl)carbamic acid
CID 18427920
(2S)-2-amino-N-(1H-indol-5-yl)-3-phenylpropanamide
CID 61250453
(2S)-N-(3-acetamidophenyl)-2-amino-3-phenylpropanamide
CID 22691247
4-[[(2S)-2-amino-3-phenylpropanoyl]amino]benzoic acid;hydrochloride
CID 175395798
(2S)-N-(4-acetylphenyl)-2-amino-3-phenylpropanamide;hydrochloride
CID 14837118
5-[(2-amino-3-phenylpropanoyl)amino]-1H-indole-2-carboxylic acid
CID 174951191
(2R)-2-amino-N-(4-iodophenyl)-3-phenylpropanamide
CID 28976654
4-[(2-amino-3-phenylpropanoyl)amino]benzoic acid
CID 22161473
2-amino-N-(4-benzylsulfanyl-3-hydroxyphenyl)-3-phenylpropanamide;hydrochloride
CID 174204840
(2S)-2-amino-N-(3-fluorophenyl)-3-phenylpropanamide
CID 22691298

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-oxochromen-6-yl)-3-phenylpropanamide;hydrochloride?
The IUPAC name of 2-amino-N-(2-oxochromen-6-yl)-3-phenylpropanamide;hydrochloride (CID 139945933) is 2-amino-N-(2-oxochromen-6-yl)-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(2-oxochromen-6-yl)-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(2-oxochromen-6-yl)-3-phenylpropanamide;hydrochloride is Cl.NC(Cc1ccccc1)C(=O)Nc1ccc2oc(=O)ccc2c1.
What is the InChIKey of 2-amino-N-(2-oxochromen-6-yl)-3-phenylpropanamide;hydrochloride?
The InChIKey is CIFLZOVJUOWJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3.ClH/c19-15(10-12-4-2-1-3-5-12)18(22)20-14-7-8-16-13(11-14)6-9-17(21)23-16;/h1-9,11,15H,10,19H2,(H,20,22);1H.
What are the key properties of 2-amino-N-(2-oxochromen-6-yl)-3-phenylpropanamide;hydrochloride?
2-amino-N-(2-oxochromen-6-yl)-3-phenylpropanamide;hydrochloride has a molecular weight of 344.80 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-oxochromen-6-yl)-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 139945933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).