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

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Related Compounds

2-methyl-N-(2-phenylethyl)-2,3-dihydro-1-benzofuran-7-carboxamide
CID 163619458
(4S)-4-amino-N-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromene-8-carboxamide;hydrochloride
CID 134348459
2,3-dihydroxy-N-(2-phenylethyl)benzamide
CID 22895318
1-N,4-N-bis[2-(2-phenylethylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 4930342
N-[2-(4-fluorophenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 52772937
N-(2-phenylethyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 110648358
4-amino-8-fluoro-3,4-dihydro-2H-chromene-7-carboxylic acid;hydrochloride
CID 162344563
4-amino-N-[(2S)-1-amino-1-oxo-3-[4-(trifluoromethoxy)phenyl]propan-2-yl]-3,4-dihydro-2H-chromene-8-carboxamide
CID 70288188
2,3-dimethyl-N-(2-phenylethyl)benzamide
CID 7732731
(4R)-8-methyl-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 75412145
N-(2-phenylethyl)-2-[[2-(2-phenylethylcarbamoyl)phenyl]diselanyl]benzamide
CID 118716205
methyl 2-(2-phenylethylcarbamoyl)benzoate
CID 23935800

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).