2-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-phenylpropanamide;dihydrochloride

C18H29Cl2N3O — CID 119892048

IUPAC2-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-phenylpropanamide;dihydrochloride
SMILESCN1C2CCCC1CC(NC(=O)C(N)Cc1ccccc1)C2.Cl.Cl
InChIInChI=1S/C18H27N3O.2ClH/c1-21-15-8-5-9-16(21)12-14(11-15)20-18(22)17(19)10-13-6-3-2-4-7-13;;/h2-4,6-7,14-17H,5,8-12,19H2,1H3,(H,20,22);2*1H
InChIKeyYOKFJCUFJTYAMW-UHFFFAOYSA-N
MW374.36 g/mol
LogP2.53
Rot. Bonds4

About 2-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-phenylpropanamide;dihydrochloride

2-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-phenylpropanamide;dihydrochloride (PubChem CID 119892048) has the molecular formula C18H29Cl2N3O and a molecular weight of 374.36 g/mol. Its IUPAC name is 2-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-phenylpropanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-phenylpropanamide;dihydrochloride
PubChem CID119892048
Molecular FormulaC18H29Cl2N3O
Molecular Weight374.36 g/mol
Exact Mass373.17
IUPAC Name2-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-phenylpropanamide;dihydrochloride
SMILESCN1C2CCCC1CC(NC(=O)C(N)Cc1ccccc1)C2.Cl.Cl
InChIInChI=1S/C18H27N3O.2ClH/c1-21-15-8-5-9-16(21)12-14(11-15)20-18(22)17(19)10-13-6-3-2-4-7-13;;/h2-4,6-7,14-17H,5,8-12,19H2,1H3,(H,20,22);2*1H
InChIKeyYOKFJCUFJTYAMW-UHFFFAOYSA-N
XLogP2.53
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(3-methylcyclohexyl)-3-phenylpropanamide;hydrochloride
CID 119285428
(2S)-2-amino-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide
CID 91079232
3-[[(2S)-2-amino-3-phenylpropanoyl]amino]cyclohexane-1-carboxamide;hydrochloride
CID 119309135
(2S)-2-amino-N-(3-ethylcyclohexyl)-3-phenylpropanamide
CID 64747832
2-amino-N-(1-methylsulfonylpiperidin-4-yl)-3-phenylpropanamide;hydrochloride
CID 119276757
2-amino-N-(3,5-dimethylcyclohexyl)-3-phenylpropanamide
CID 64732718
(2R)-2-amino-N-(1-methylpyrrolidin-3-yl)-3-phenylpropanamide
CID 78985707
(2R)-2-amino-N-(3-methylsulfanylcyclohexyl)-3-phenylpropanamide
CID 103797412
(2S)-2-amino-N-(4-methylcyclohexyl)-3-phenylpropanamide
CID 14837100
2-amino-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-3-phenylpropanamide
CID 119868626
(2S)-2-amino-N-[(3S,5S)-1-cyclopropyl-5-methylpyrrolidin-3-yl]-3-phenylpropanamide
CID 124693344
(2R)-2-amino-N-(1-cyclopropylpiperidin-4-yl)-3-phenylpropanamide
CID 78984552

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-phenylpropanamide;dihydrochloride?
The IUPAC name of 2-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-phenylpropanamide;dihydrochloride (CID 119892048) is 2-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-phenylpropanamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-phenylpropanamide;dihydrochloride?
The canonical SMILES for 2-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-phenylpropanamide;dihydrochloride is CN1C2CCCC1CC(NC(=O)C(N)Cc1ccccc1)C2.Cl.Cl.
What is the InChIKey of 2-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-phenylpropanamide;dihydrochloride?
The InChIKey is YOKFJCUFJTYAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O.2ClH/c1-21-15-8-5-9-16(21)12-14(11-15)20-18(22)17(19)10-13-6-3-2-4-7-13;;/h2-4,6-7,14-17H,5,8-12,19H2,1H3,(H,20,22);2*1H.
What are the key properties of 2-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-phenylpropanamide;dihydrochloride?
2-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-phenylpropanamide;dihydrochloride has a molecular weight of 374.36 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-phenylpropanamide;dihydrochloride is sourced from PubChem (CID 119892048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).