2-amino-N-ethyl-3-phenyl-N-(pyridin-2-ylmethyl)propanamide;dihydrochloride

C17H23Cl2N3O — CID 119885181

IUPAC2-amino-N-ethyl-3-phenyl-N-(pyridin-2-ylmethyl)propanamide;dihydrochloride
SMILESCCN(Cc1ccccn1)C(=O)C(N)Cc1ccccc1.Cl.Cl
InChIInChI=1S/C17H21N3O.2ClH/c1-2-20(13-15-10-6-7-11-19-15)17(21)16(18)12-14-8-4-3-5-9-14;;/h3-11,16H,2,12-13,18H2,1H3;2*1H
InChIKeyPOMFUFKOAVSXEO-UHFFFAOYSA-N
MW356.30 g/mol
LogP2.84
Rot. Bonds6

About 2-amino-N-ethyl-3-phenyl-N-(pyridin-2-ylmethyl)propanamide;dihydrochloride

2-amino-N-ethyl-3-phenyl-N-(pyridin-2-ylmethyl)propanamide;dihydrochloride (PubChem CID 119885181) has the molecular formula C17H23Cl2N3O and a molecular weight of 356.30 g/mol. Its IUPAC name is 2-amino-N-ethyl-3-phenyl-N-(pyridin-2-ylmethyl)propanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-ethyl-3-phenyl-N-(pyridin-2-ylmethyl)propanamide;dihydrochloride
PubChem CID119885181
Molecular FormulaC17H23Cl2N3O
Molecular Weight356.30 g/mol
Exact Mass355.12
IUPAC Name2-amino-N-ethyl-3-phenyl-N-(pyridin-2-ylmethyl)propanamide;dihydrochloride
SMILESCCN(Cc1ccccn1)C(=O)C(N)Cc1ccccc1.Cl.Cl
InChIInChI=1S/C17H21N3O.2ClH/c1-2-20(13-15-10-6-7-11-19-15)17(21)16(18)12-14-8-4-3-5-9-14;;/h3-11,16H,2,12-13,18H2,1H3;2*1H
InChIKeyPOMFUFKOAVSXEO-UHFFFAOYSA-N
XLogP2.84
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 119280650
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CID 43273815
(2S)-2-amino-N-ethyl-N-(2-methylpropyl)-3-phenylpropanamide
CID 55150348
2-amino-3-phenyl-N,N-dipropylpropanamide;hydrochloride
CID 56831878
N-ethyl-3-methyl-N-(pyridin-2-ylmethyl)-2-sulfanylbutanamide
CID 107032618
2-amino-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenylpropanamide
CID 119863717
(2S)-2-amino-N-ethyl-N-methyl-3-phenylpropanamide;hydrochloride
CID 119314932
3-amino-N-ethyl-N-(pyridin-2-ylmethyl)propanamide
CID 39241658
2-amino-N-ethyl-3-phenyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]propanamide
CID 119891449
2-amino-3-phenyl-N-(pyridin-2-ylmethyl)propanamide;hydrochloride
CID 56832236
(2R)-2-amino-N-(cyclopropylmethyl)-N-ethyl-3-phenylpropanamide
CID 78954609
(2R)-2-amino-N,N-dimethyl-3-pyridin-2-ylpropanamide
CID 73439082

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-3-phenyl-N-(pyridin-2-ylmethyl)propanamide;dihydrochloride?
The IUPAC name of 2-amino-N-ethyl-3-phenyl-N-(pyridin-2-ylmethyl)propanamide;dihydrochloride (CID 119885181) is 2-amino-N-ethyl-3-phenyl-N-(pyridin-2-ylmethyl)propanamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-ethyl-3-phenyl-N-(pyridin-2-ylmethyl)propanamide;dihydrochloride?
The canonical SMILES for 2-amino-N-ethyl-3-phenyl-N-(pyridin-2-ylmethyl)propanamide;dihydrochloride is CCN(Cc1ccccn1)C(=O)C(N)Cc1ccccc1.Cl.Cl.
What is the InChIKey of 2-amino-N-ethyl-3-phenyl-N-(pyridin-2-ylmethyl)propanamide;dihydrochloride?
The InChIKey is POMFUFKOAVSXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O.2ClH/c1-2-20(13-15-10-6-7-11-19-15)17(21)16(18)12-14-8-4-3-5-9-14;;/h3-11,16H,2,12-13,18H2,1H3;2*1H.
What are the key properties of 2-amino-N-ethyl-3-phenyl-N-(pyridin-2-ylmethyl)propanamide;dihydrochloride?
2-amino-N-ethyl-3-phenyl-N-(pyridin-2-ylmethyl)propanamide;dihydrochloride has a molecular weight of 356.30 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-3-phenyl-N-(pyridin-2-ylmethyl)propanamide;dihydrochloride is sourced from PubChem (CID 119885181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).