3-amino-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-phenylpropanamide;hydrochloride

C19H23ClN2O2 — CID 119950922

IUPAC3-amino-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-phenylpropanamide;hydrochloride
SMILESCl.NC(CC(=O)NCC1CCOc2ccccc21)c1ccccc1
InChIInChI=1S/C19H22N2O2.ClH/c20-17(14-6-2-1-3-7-14)12-19(22)21-13-15-10-11-23-18-9-5-4-8-16(15)18;/h1-9,15,17H,10-13,20H2,(H,21,22);1H
InChIKeyPOUCGBSIQQAPEY-UHFFFAOYSA-N
MW346.86 g/mol
LogP3.18
Rot. Bonds5

About 3-amino-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-phenylpropanamide;hydrochloride

3-amino-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-phenylpropanamide;hydrochloride (PubChem CID 119950922) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 3-amino-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-phenylpropanamide;hydrochloride
PubChem CID119950922
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name3-amino-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-phenylpropanamide;hydrochloride
SMILESCl.NC(CC(=O)NCC1CCOc2ccccc21)c1ccccc1
InChIInChI=1S/C19H22N2O2.ClH/c20-17(14-6-2-1-3-7-14)12-19(22)21-13-15-10-11-23-18-9-5-4-8-16(15)18;/h1-9,15,17H,10-13,20H2,(H,21,22);1H
InChIKeyPOUCGBSIQQAPEY-UHFFFAOYSA-N
XLogP3.18
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 110709223
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119762185
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CID 110746942
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-thiophen-2-ylacetamide
CID 110709252
3-amino-N-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazine-2-carboxamide
CID 119126287
(2R)-2-(3,4-dihydro-2H-chromen-4-ylmethylamino)propanoic acid
CID 104768961
2-(3,4-dihydro-2H-chromen-4-ylmethylamino)acetamide
CID 104768242
3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylpropanamide;hydrochloride
CID 119950772
3-amino-N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-3-phenylpropanamide;hydrochloride
CID 119950489
1-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)methanamine
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-phenylpropanamide;hydrochloride (CID 119950922) is 3-amino-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-phenylpropanamide;hydrochloride is Cl.NC(CC(=O)NCC1CCOc2ccccc21)c1ccccc1.
What is the InChIKey of 3-amino-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-phenylpropanamide;hydrochloride?
The InChIKey is POUCGBSIQQAPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2.ClH/c20-17(14-6-2-1-3-7-14)12-19(22)21-13-15-10-11-23-18-9-5-4-8-16(15)18;/h1-9,15,17H,10-13,20H2,(H,21,22);1H.
What are the key properties of 3-amino-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-phenylpropanamide;hydrochloride?
3-amino-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-phenylpropanamide;hydrochloride has a molecular weight of 346.86 g/mol, XLogP of 3.18, 5 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-ylmethyl)-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119950922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).