3-amino-2-methyl-3-phenyl-N-(1-pyridin-4-ylpropyl)propanamide;dihydrochloride

C18H25Cl2N3O — CID 119884889

IUPAC3-amino-2-methyl-3-phenyl-N-(1-pyridin-4-ylpropyl)propanamide;dihydrochloride
SMILESCCC(NC(=O)C(C)C(N)c1ccccc1)c1ccncc1.Cl.Cl
InChIInChI=1S/C18H23N3O.2ClH/c1-3-16(14-9-11-20-12-10-14)21-18(22)13(2)17(19)15-7-5-4-6-8-15;;/h4-13,16-17H,3,19H2,1-2H3,(H,21,22);2*1H
InChIKeyZDACWOMODRVEEP-UHFFFAOYSA-N
MW370.32 g/mol
LogP3.83
Rot. Bonds6

About 3-amino-2-methyl-3-phenyl-N-(1-pyridin-4-ylpropyl)propanamide;dihydrochloride

3-amino-2-methyl-3-phenyl-N-(1-pyridin-4-ylpropyl)propanamide;dihydrochloride (PubChem CID 119884889) has the molecular formula C18H25Cl2N3O and a molecular weight of 370.32 g/mol. Its IUPAC name is 3-amino-2-methyl-3-phenyl-N-(1-pyridin-4-ylpropyl)propanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-2-methyl-3-phenyl-N-(1-pyridin-4-ylpropyl)propanamide;dihydrochloride
PubChem CID119884889
Molecular FormulaC18H25Cl2N3O
Molecular Weight370.32 g/mol
Exact Mass369.14
IUPAC Name3-amino-2-methyl-3-phenyl-N-(1-pyridin-4-ylpropyl)propanamide;dihydrochloride
SMILESCCC(NC(=O)C(C)C(N)c1ccccc1)c1ccncc1.Cl.Cl
InChIInChI=1S/C18H23N3O.2ClH/c1-3-16(14-9-11-20-12-10-14)21-18(22)13(2)17(19)15-7-5-4-6-8-15;;/h4-13,16-17H,3,19H2,1-2H3,(H,21,22);2*1H
InChIKeyZDACWOMODRVEEP-UHFFFAOYSA-N
XLogP3.83
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.32
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[1-(4-methoxyphenyl)propyl]-2-methyl-3-phenylpropanamide
CID 119689348
3-amino-N-butan-2-yl-2-methyl-3-phenylpropanamide;hydrochloride
CID 119669598
3-amino-N-[2-(dimethylamino)-1-phenylethyl]-2-methyl-3-phenylpropanamide
CID 119836141
3-amino-N-[1-(2-ethoxyphenyl)propyl]-2-methyl-3-phenylpropanamide
CID 119721382
3-amino-2-methyl-3-phenyl-N-(1-phenylethyl)propanamide;hydrochloride
CID 119669700
3-amino-N-(2-ethylbutyl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119706690
3-amino-N-(1-methoxybutan-2-yl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119706806
3-amino-2-methyl-3-phenyl-N-[(1S)-1-pyridin-3-ylethyl]propanamide;dihydrochloride
CID 119863805
2-amino-3-methyl-N-(1-phenylpropyl)pentanamide
CID 62305056
3-amino-N-[1-(2,4-difluorophenyl)propyl]-2-methyl-3-phenylpropanamide
CID 119796287
3-amino-N-(1-pyridin-4-ylpropyl)propanamide;dihydrochloride
CID 119884915
4-[1-amino-2-oxo-2-[[(1S)-1-phenylpropyl]amino]ethyl]-N-pyridin-4-ylbenzamide
CID 15983905

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-3-phenyl-N-(1-pyridin-4-ylpropyl)propanamide;dihydrochloride?
The IUPAC name of 3-amino-2-methyl-3-phenyl-N-(1-pyridin-4-ylpropyl)propanamide;dihydrochloride (CID 119884889) is 3-amino-2-methyl-3-phenyl-N-(1-pyridin-4-ylpropyl)propanamide;dihydrochloride.
What is the SMILES notation for 3-amino-2-methyl-3-phenyl-N-(1-pyridin-4-ylpropyl)propanamide;dihydrochloride?
The canonical SMILES for 3-amino-2-methyl-3-phenyl-N-(1-pyridin-4-ylpropyl)propanamide;dihydrochloride is CCC(NC(=O)C(C)C(N)c1ccccc1)c1ccncc1.Cl.Cl.
What is the InChIKey of 3-amino-2-methyl-3-phenyl-N-(1-pyridin-4-ylpropyl)propanamide;dihydrochloride?
The InChIKey is ZDACWOMODRVEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O.2ClH/c1-3-16(14-9-11-20-12-10-14)21-18(22)13(2)17(19)15-7-5-4-6-8-15;;/h4-13,16-17H,3,19H2,1-2H3,(H,21,22);2*1H.
What are the key properties of 3-amino-2-methyl-3-phenyl-N-(1-pyridin-4-ylpropyl)propanamide;dihydrochloride?
3-amino-2-methyl-3-phenyl-N-(1-pyridin-4-ylpropyl)propanamide;dihydrochloride has a molecular weight of 370.32 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-3-phenyl-N-(1-pyridin-4-ylpropyl)propanamide;dihydrochloride is sourced from PubChem (CID 119884889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).