4-amino-3-methoxy-N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]butanamide

C18H24N2O2S — CID 120590294

IUPAC4-amino-3-methoxy-N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]butanamide
SMILESCOC(CN)CC(=O)NCCSCc1cccc2ccccc12
InChIInChI=1S/C18H24N2O2S/c1-22-16(12-19)11-18(21)20-9-10-23-13-15-7-4-6-14-5-2-3-8-17(14)15/h2-8,16H,9-13,19H2,1H3,(H,20,21)
InChIKeyVZRVJVGLMMIFFS-UHFFFAOYSA-N
MW332.47 g/mol
LogP2.55
Rot. Bonds9

About 4-amino-3-methoxy-N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]butanamide

4-amino-3-methoxy-N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]butanamide (PubChem CID 120590294) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]butanamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]butanamide
PubChem CID120590294
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC Name4-amino-3-methoxy-N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]butanamide
SMILESCOC(CN)CC(=O)NCCSCc1cccc2ccccc12
InChIInChI=1S/C18H24N2O2S/c1-22-16(12-19)11-18(21)20-9-10-23-13-15-7-4-6-14-5-2-3-8-17(14)15/h2-8,16H,9-13,19H2,1H3,(H,20,21)
InChIKeyVZRVJVGLMMIFFS-UHFFFAOYSA-N
XLogP2.55
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-methoxybutanamide
CID 120587259
(2S)-2-amino-4-methylsulfanyl-N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]butanamide
CID 119304331
2-amino-N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]pentanamide;hydrochloride
CID 119304338
4-amino-3-methoxy-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]butanamide
CID 120591295
4-amino-3-methoxy-N-[2-(2-nitrophenyl)ethyl]butanamide
CID 120593305
N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]-2-(2-nitrophenyl)acetamide
CID 60568912
(2R)-N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 94488695
4-amino-3-methoxy-N-(2-naphthalen-2-ylethyl)butanamide;hydrochloride
CID 120589267
4-amino-N-[2-(benzylamino)-2-oxoethyl]-3-methoxybutanamide
CID 103155317
4-amino-N-(3,3-diphenylpropyl)-3-methoxybutanamide;hydrochloride
CID 120586575
4-amino-N-[2-(2,6-dichlorophenyl)ethyl]-3-methoxybutanamide
CID 120590079
4-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-3-methoxybutanamide
CID 107093408

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]butanamide?
The IUPAC name of 4-amino-3-methoxy-N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]butanamide (CID 120590294) is 4-amino-3-methoxy-N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]butanamide.
What is the SMILES notation for 4-amino-3-methoxy-N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]butanamide?
The canonical SMILES for 4-amino-3-methoxy-N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]butanamide is COC(CN)CC(=O)NCCSCc1cccc2ccccc12.
What is the InChIKey of 4-amino-3-methoxy-N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]butanamide?
The InChIKey is VZRVJVGLMMIFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-22-16(12-19)11-18(21)20-9-10-23-13-15-7-4-6-14-5-2-3-8-17(14)15/h2-8,16H,9-13,19H2,1H3,(H,20,21).
What are the key properties of 4-amino-3-methoxy-N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]butanamide?
4-amino-3-methoxy-N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]butanamide has a molecular weight of 332.47 g/mol, XLogP of 2.55, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]butanamide is sourced from PubChem (CID 120590294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).