4-amino-N-(2-phenylethyl)-3,4-dihydro-2H-chromene-8-carboxamide;hydrochloride

C18H21ClN2O2 — CID 139906108

IUPAC4-amino-N-(2-phenylethyl)-3,4-dihydro-2H-chromene-8-carboxamide;hydrochloride
SMILESCl.NC1CCOc2c(C(=O)NCCc3ccccc3)cccc21
InChIInChI=1S/C18H20N2O2.ClH/c19-16-10-12-22-17-14(16)7-4-8-15(17)18(21)20-11-9-13-5-2-1-3-6-13;/h1-8,16H,9-12,19H2,(H,20,21);1H
InChIKeyQQLJWYLQMJJFTG-UHFFFAOYSA-N
MW332.83 g/mol
LogP2.86
Rot. Bonds4

About 4-amino-N-(2-phenylethyl)-3,4-dihydro-2H-chromene-8-carboxamide;hydrochloride

4-amino-N-(2-phenylethyl)-3,4-dihydro-2H-chromene-8-carboxamide;hydrochloride (PubChem CID 139906108) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 4-amino-N-(2-phenylethyl)-3,4-dihydro-2H-chromene-8-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-(2-phenylethyl)-3,4-dihydro-2H-chromene-8-carboxamide;hydrochloride
PubChem CID139906108
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name4-amino-N-(2-phenylethyl)-3,4-dihydro-2H-chromene-8-carboxamide;hydrochloride
SMILESCl.NC1CCOc2c(C(=O)NCCc3ccccc3)cccc21
InChIInChI=1S/C18H20N2O2.ClH/c19-16-10-12-22-17-14(16)7-4-8-15(17)18(21)20-11-9-13-5-2-1-3-6-13;/h1-8,16H,9-12,19H2,(H,20,21);1H
InChIKeyQQLJWYLQMJJFTG-UHFFFAOYSA-N
XLogP2.86
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-amino-N-(2-phenylethyl)-3,4-dihydro-2H-chromene-8-carboxamide;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-phenylethyl)-3,4-dihydro-2H-chromene-8-carboxamide;hydrochloride?
The IUPAC name of 4-amino-N-(2-phenylethyl)-3,4-dihydro-2H-chromene-8-carboxamide;hydrochloride (CID 139906108) is 4-amino-N-(2-phenylethyl)-3,4-dihydro-2H-chromene-8-carboxamide;hydrochloride.
What is the SMILES notation for 4-amino-N-(2-phenylethyl)-3,4-dihydro-2H-chromene-8-carboxamide;hydrochloride?
The canonical SMILES for 4-amino-N-(2-phenylethyl)-3,4-dihydro-2H-chromene-8-carboxamide;hydrochloride is Cl.NC1CCOc2c(C(=O)NCCc3ccccc3)cccc21.
What is the InChIKey of 4-amino-N-(2-phenylethyl)-3,4-dihydro-2H-chromene-8-carboxamide;hydrochloride?
The InChIKey is QQLJWYLQMJJFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2.ClH/c19-16-10-12-22-17-14(16)7-4-8-15(17)18(21)20-11-9-13-5-2-1-3-6-13;/h1-8,16H,9-12,19H2,(H,20,21);1H.
What are the key properties of 4-amino-N-(2-phenylethyl)-3,4-dihydro-2H-chromene-8-carboxamide;hydrochloride?
4-amino-N-(2-phenylethyl)-3,4-dihydro-2H-chromene-8-carboxamide;hydrochloride has a molecular weight of 332.83 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-phenylethyl)-3,4-dihydro-2H-chromene-8-carboxamide;hydrochloride is sourced from PubChem (CID 139906108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).