2-amino-2-phenyl-N-(1-pyridin-2-ylethyl)propanamide;dihydrochloride

C16H21Cl2N3O — CID 120594633

IUPAC2-amino-2-phenyl-N-(1-pyridin-2-ylethyl)propanamide;dihydrochloride
SMILESCC(NC(=O)C(C)(N)c1ccccc1)c1ccccn1.Cl.Cl
InChIInChI=1S/C16H19N3O.2ClH/c1-12(14-10-6-7-11-18-14)19-15(20)16(2,17)13-8-4-3-5-9-13;;/h3-12H,17H2,1-2H3,(H,19,20);2*1H
InChIKeyDVMQQDNAEOXYSC-UHFFFAOYSA-N
MW342.27 g/mol
LogP2.98
Rot. Bonds4

About 2-amino-2-phenyl-N-(1-pyridin-2-ylethyl)propanamide;dihydrochloride

2-amino-2-phenyl-N-(1-pyridin-2-ylethyl)propanamide;dihydrochloride (PubChem CID 120594633) has the molecular formula C16H21Cl2N3O and a molecular weight of 342.27 g/mol. Its IUPAC name is 2-amino-2-phenyl-N-(1-pyridin-2-ylethyl)propanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-2-phenyl-N-(1-pyridin-2-ylethyl)propanamide;dihydrochloride
PubChem CID120594633
Molecular FormulaC16H21Cl2N3O
Molecular Weight342.27 g/mol
Exact Mass341.11
IUPAC Name2-amino-2-phenyl-N-(1-pyridin-2-ylethyl)propanamide;dihydrochloride
SMILESCC(NC(=O)C(C)(N)c1ccccc1)c1ccccn1.Cl.Cl
InChIInChI=1S/C16H19N3O.2ClH/c1-12(14-10-6-7-11-18-14)19-15(20)16(2,17)13-8-4-3-5-9-13;;/h3-12H,17H2,1-2H3,(H,19,20);2*1H
InChIKeyDVMQQDNAEOXYSC-UHFFFAOYSA-N
XLogP2.98
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.27
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-(1-pyridin-2-ylethyl)propanamide
CID 60629083
2-bromo-2-methyl-N-(1-pyridin-2-ylethyl)propanamide
CID 114327632
2-(4-aminophenyl)-2-methyl-N-[(1S)-1-pyridin-2-ylethyl]propanamide
CID 81392052
2-amino-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]-2-phenylpropanamide;hydrochloride
CID 120597666
2-amino-N-(3-methylbutan-2-yl)-2-phenylpropanamide;hydrochloride
CID 120586686
2-amino-N-[1-(2-methylphenyl)ethyl]-2-phenylpropanamide;hydrochloride
CID 120587054
(2S)-2-[(2-amino-2-phenylpropanoyl)amino]propanoic acid
CID 78991003
2-amino-3,3-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]butanamide
CID 103930332
4-tert-butyl-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 35939821
2,2,3,3-tetrafluoro-N-[(1S)-1-pyridin-2-ylethyl]propanamide
CID 103733324
(2R)-2-amino-3,3-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]butanamide
CID 113353567
2-amino-N-[1-(furan-2-yl)ethyl]-2-phenylpropanamide
CID 55078587

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-phenyl-N-(1-pyridin-2-ylethyl)propanamide;dihydrochloride?
The IUPAC name of 2-amino-2-phenyl-N-(1-pyridin-2-ylethyl)propanamide;dihydrochloride (CID 120594633) is 2-amino-2-phenyl-N-(1-pyridin-2-ylethyl)propanamide;dihydrochloride.
What is the SMILES notation for 2-amino-2-phenyl-N-(1-pyridin-2-ylethyl)propanamide;dihydrochloride?
The canonical SMILES for 2-amino-2-phenyl-N-(1-pyridin-2-ylethyl)propanamide;dihydrochloride is CC(NC(=O)C(C)(N)c1ccccc1)c1ccccn1.Cl.Cl.
What is the InChIKey of 2-amino-2-phenyl-N-(1-pyridin-2-ylethyl)propanamide;dihydrochloride?
The InChIKey is DVMQQDNAEOXYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O.2ClH/c1-12(14-10-6-7-11-18-14)19-15(20)16(2,17)13-8-4-3-5-9-13;;/h3-12H,17H2,1-2H3,(H,19,20);2*1H.
What are the key properties of 2-amino-2-phenyl-N-(1-pyridin-2-ylethyl)propanamide;dihydrochloride?
2-amino-2-phenyl-N-(1-pyridin-2-ylethyl)propanamide;dihydrochloride has a molecular weight of 342.27 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-phenyl-N-(1-pyridin-2-ylethyl)propanamide;dihydrochloride is sourced from PubChem (CID 120594633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).