4-amino-3-methoxy-N-(2-naphthalen-2-ylethyl)butanamide;hydrochloride

C17H23ClN2O2 — CID 120589267

IUPAC4-amino-3-methoxy-N-(2-naphthalen-2-ylethyl)butanamide;hydrochloride
SMILESCOC(CN)CC(=O)NCCc1ccc2ccccc2c1.Cl
InChIInChI=1S/C17H22N2O2.ClH/c1-21-16(12-18)11-17(20)19-9-8-13-6-7-14-4-2-3-5-15(14)10-13;/h2-7,10,16H,8-9,11-12,18H2,1H3,(H,19,20);1H
InChIKeyXAFZTMVTRLDVIM-UHFFFAOYSA-N
MW322.84 g/mol
LogP2.28
Rot. Bonds7

About 4-amino-3-methoxy-N-(2-naphthalen-2-ylethyl)butanamide;hydrochloride

4-amino-3-methoxy-N-(2-naphthalen-2-ylethyl)butanamide;hydrochloride (PubChem CID 120589267) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-(2-naphthalen-2-ylethyl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-3-methoxy-N-(2-naphthalen-2-ylethyl)butanamide;hydrochloride
PubChem CID120589267
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC Name4-amino-3-methoxy-N-(2-naphthalen-2-ylethyl)butanamide;hydrochloride
SMILESCOC(CN)CC(=O)NCCc1ccc2ccccc2c1.Cl
InChIInChI=1S/C17H22N2O2.ClH/c1-21-16(12-18)11-17(20)19-9-8-13-6-7-14-4-2-3-5-15(14)10-13;/h2-7,10,16H,8-9,11-12,18H2,1H3,(H,19,20);1H
InChIKeyXAFZTMVTRLDVIM-UHFFFAOYSA-N
XLogP2.28
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-(2-naphthalen-2-ylethyl)butanamide;hydrochloride?
The IUPAC name of 4-amino-3-methoxy-N-(2-naphthalen-2-ylethyl)butanamide;hydrochloride (CID 120589267) is 4-amino-3-methoxy-N-(2-naphthalen-2-ylethyl)butanamide;hydrochloride.
What is the SMILES notation for 4-amino-3-methoxy-N-(2-naphthalen-2-ylethyl)butanamide;hydrochloride?
The canonical SMILES for 4-amino-3-methoxy-N-(2-naphthalen-2-ylethyl)butanamide;hydrochloride is COC(CN)CC(=O)NCCc1ccc2ccccc2c1.Cl.
What is the InChIKey of 4-amino-3-methoxy-N-(2-naphthalen-2-ylethyl)butanamide;hydrochloride?
The InChIKey is XAFZTMVTRLDVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2.ClH/c1-21-16(12-18)11-17(20)19-9-8-13-6-7-14-4-2-3-5-15(14)10-13;/h2-7,10,16H,8-9,11-12,18H2,1H3,(H,19,20);1H.
What are the key properties of 4-amino-3-methoxy-N-(2-naphthalen-2-ylethyl)butanamide;hydrochloride?
4-amino-3-methoxy-N-(2-naphthalen-2-ylethyl)butanamide;hydrochloride has a molecular weight of 322.84 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-(2-naphthalen-2-ylethyl)butanamide;hydrochloride is sourced from PubChem (CID 120589267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).