2-(3-naphthalen-1-ylpropylamino)acetamide;dihydrochloride

C15H20Cl2N2O — CID 69310962

IUPAC2-(3-naphthalen-1-ylpropylamino)acetamide;dihydrochloride
SMILESCl.Cl.NC(=O)CNCCCc1cccc2ccccc12
InChIInChI=1S/C15H18N2O.2ClH/c16-15(18)11-17-10-4-8-13-7-3-6-12-5-1-2-9-14(12)13;;/h1-3,5-7,9,17H,4,8,10-11H2,(H2,16,18);2*1H
InChIKeyXNNHHVUFULLTBF-UHFFFAOYSA-N
MW315.24 g/mol
LogP2.69
Rot. Bonds6

About 2-(3-naphthalen-1-ylpropylamino)acetamide;dihydrochloride

2-(3-naphthalen-1-ylpropylamino)acetamide;dihydrochloride (PubChem CID 69310962) has the molecular formula C15H20Cl2N2O and a molecular weight of 315.24 g/mol. Its IUPAC name is 2-(3-naphthalen-1-ylpropylamino)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(3-naphthalen-1-ylpropylamino)acetamide;dihydrochloride
PubChem CID69310962
Molecular FormulaC15H20Cl2N2O
Molecular Weight315.24 g/mol
Exact Mass314.10
IUPAC Name2-(3-naphthalen-1-ylpropylamino)acetamide;dihydrochloride
SMILESCl.Cl.NC(=O)CNCCCc1cccc2ccccc12
InChIInChI=1S/C15H18N2O.2ClH/c16-15(18)11-17-10-4-8-13-7-3-6-12-5-1-2-9-14(12)13;;/h1-3,5-7,9,17H,4,8,10-11H2,(H2,16,18);2*1H
InChIKeyXNNHHVUFULLTBF-UHFFFAOYSA-N
XLogP2.69
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(3-naphthalen-1-ylpropyl)pent-4-enamide
CID 89353009
N-(2-amino-2-oxoethyl)-2-naphthalen-1-ylacetamide
CID 9294847
3-naphthalen-1-ylpropyl carbamate
CID 175301350
(2-naphthalen-1-ylethylamino)methanol
CID 115229403
3-naphthalen-1-ylpropan-1-ol
CID 14711518
2-amino-N-(2-naphthalen-1-ylethyl)acetamide
CID 115151700
3-(2-naphthalen-1-ylethylamino)propane-1-sulfonic acid
CID 87095275
[(2S)-4-amino-1-(3-naphthalen-1-ylpropylamino)-1,4-dioxobutan-2-yl]azanium;2,2,2-trifluoroacetate
CID 11189136
acetaldehyde;N-methyl-2-naphthalen-1-ylethanamine
CID 142942330
carbamic acid;naphthalen-1-ylmethanol
CID 71402043
3-iodo-N-(3-naphthalen-1-ylpropyl)benzamide
CID 100514262
2-(2-methoxyethylamino)-N-(2-naphthalen-1-ylethyl)acetamide
CID 119722532

Frequently Asked Questions

What is the IUPAC name of 2-(3-naphthalen-1-ylpropylamino)acetamide;dihydrochloride?
The IUPAC name of 2-(3-naphthalen-1-ylpropylamino)acetamide;dihydrochloride (CID 69310962) is 2-(3-naphthalen-1-ylpropylamino)acetamide;dihydrochloride.
What is the SMILES notation for 2-(3-naphthalen-1-ylpropylamino)acetamide;dihydrochloride?
The canonical SMILES for 2-(3-naphthalen-1-ylpropylamino)acetamide;dihydrochloride is Cl.Cl.NC(=O)CNCCCc1cccc2ccccc12.
What is the InChIKey of 2-(3-naphthalen-1-ylpropylamino)acetamide;dihydrochloride?
The InChIKey is XNNHHVUFULLTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O.2ClH/c16-15(18)11-17-10-4-8-13-7-3-6-12-5-1-2-9-14(12)13;;/h1-3,5-7,9,17H,4,8,10-11H2,(H2,16,18);2*1H.
What are the key properties of 2-(3-naphthalen-1-ylpropylamino)acetamide;dihydrochloride?
2-(3-naphthalen-1-ylpropylamino)acetamide;dihydrochloride has a molecular weight of 315.24 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-naphthalen-1-ylpropylamino)acetamide;dihydrochloride is sourced from PubChem (CID 69310962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).