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

C18H21ClN2O2 — CID 119685133

IUPAC3-amino-N-(3,4-dihydro-2H-chromen-4-yl)-2-phenylpropanamide;hydrochloride
SMILESCl.NCC(C(=O)NC1CCOc2ccccc21)c1ccccc1
InChIInChI=1S/C18H20N2O2.ClH/c19-12-15(13-6-2-1-3-7-13)18(21)20-16-10-11-22-17-9-5-4-8-14(16)17;/h1-9,15-16H,10-12,19H2,(H,20,21);1H
InChIKeyFKBMNSDVKCMYCF-UHFFFAOYSA-N
MW332.83 g/mol
LogP2.79
Rot. Bonds4

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

3-amino-N-(3,4-dihydro-2H-chromen-4-yl)-2-phenylpropanamide;hydrochloride (PubChem CID 119685133) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 3-amino-N-(3,4-dihydro-2H-chromen-4-yl)-2-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(3,4-dihydro-2H-chromen-4-yl)-2-phenylpropanamide;hydrochloride
PubChem CID119685133
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name3-amino-N-(3,4-dihydro-2H-chromen-4-yl)-2-phenylpropanamide;hydrochloride
SMILESCl.NCC(C(=O)NC1CCOc2ccccc21)c1ccccc1
InChIInChI=1S/C18H20N2O2.ClH/c19-12-15(13-6-2-1-3-7-13)18(21)20-16-10-11-22-17-9-5-4-8-14(16)17;/h1-9,15-16H,10-12,19H2,(H,20,21);1H
InChIKeyFKBMNSDVKCMYCF-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-(3,4-dihydro-2H-chromen-4-yl)-2-phenylacetamide
CID 61180627
3-amino-N-(3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride
CID 119268905
2-amino-2-phenyl-N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)acetamide;hydrochloride
CID 119310398
2-amino-N-(3,4-dihydro-2H-chromen-4-yl)pentanamide;hydrochloride
CID 119268919
3-amino-N-(oxolan-3-yl)-2-phenylpropanamide
CID 80717092
4-(3,4-dihydro-2H-chromen-4-ylamino)-2-(4-methylphenyl)-4-oxobutanoic acid
CID 139019730
(2S)-2-bromo-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-methylbutanamide
CID 93300423
(2S)-2-bromo-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-methylbutanamide
CID 93300419
5-(3,4-dihydro-2H-chromen-4-ylamino)-5-oxopentanoic acid
CID 43580055
2-bromo-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbutanamide
CID 43244721
3-amino-2-methyl-3-phenyl-N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)propanamide
CID 119761013
(2S)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-methylsulfonylpropanamide
CID 94025535

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,4-dihydro-2H-chromen-4-yl)-2-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-(3,4-dihydro-2H-chromen-4-yl)-2-phenylpropanamide;hydrochloride (CID 119685133) is 3-amino-N-(3,4-dihydro-2H-chromen-4-yl)-2-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(3,4-dihydro-2H-chromen-4-yl)-2-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(3,4-dihydro-2H-chromen-4-yl)-2-phenylpropanamide;hydrochloride is Cl.NCC(C(=O)NC1CCOc2ccccc21)c1ccccc1.
What is the InChIKey of 3-amino-N-(3,4-dihydro-2H-chromen-4-yl)-2-phenylpropanamide;hydrochloride?
The InChIKey is FKBMNSDVKCMYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2.ClH/c19-12-15(13-6-2-1-3-7-13)18(21)20-16-10-11-22-17-9-5-4-8-14(16)17;/h1-9,15-16H,10-12,19H2,(H,20,21);1H.
What are the key properties of 3-amino-N-(3,4-dihydro-2H-chromen-4-yl)-2-phenylpropanamide;hydrochloride?
3-amino-N-(3,4-dihydro-2H-chromen-4-yl)-2-phenylpropanamide;hydrochloride has a molecular weight of 332.83 g/mol, XLogP of 2.79, 4 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)-2-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119685133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).