3-[(4-methoxynaphthalen-1-yl)methylamino]-N-methylpropanamide

C16H20N2O2 — CID 78998463

IUPAC3-[(4-methoxynaphthalen-1-yl)methylamino]-N-methylpropanamide
SMILESCNC(=O)CCNCc1ccc(OC)c2ccccc12
InChIInChI=1S/C16H20N2O2/c1-17-16(19)9-10-18-11-12-7-8-15(20-2)14-6-4-3-5-13(12)14/h3-8,18H,9-11H2,1-2H3,(H,17,19)
InChIKeyPEDAWMVDOCYFAR-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.07
Rot. Bonds6

About 3-[(4-methoxynaphthalen-1-yl)methylamino]-N-methylpropanamide

3-[(4-methoxynaphthalen-1-yl)methylamino]-N-methylpropanamide (PubChem CID 78998463) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-[(4-methoxynaphthalen-1-yl)methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(4-methoxynaphthalen-1-yl)methylamino]-N-methylpropanamide
PubChem CID78998463
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name3-[(4-methoxynaphthalen-1-yl)methylamino]-N-methylpropanamide
SMILESCNC(=O)CCNCc1ccc(OC)c2ccccc12
InChIInChI=1S/C16H20N2O2/c1-17-16(19)9-10-18-11-12-7-8-15(20-2)14-6-4-3-5-13(12)14/h3-8,18H,9-11H2,1-2H3,(H,17,19)
InChIKeyPEDAWMVDOCYFAR-UHFFFAOYSA-N
XLogP2.07
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-3-[(2,3,4-trimethoxyphenyl)methylamino]propanamide
CID 51129427
N-[2-[(4-methoxynaphthalen-1-yl)methylamino]ethyl]acetamide
CID 78974984
3-[(2-fluoro-3-methoxyphenyl)methylamino]-N-methylpropanamide
CID 104791725
3-[(4-methoxynaphthalen-1-yl)methylamino]propanenitrile
CID 78974976
2-(2-fluorophenyl)-N-[(4-methoxynaphthalen-1-yl)methyl]ethanamine;oxalic acid
CID 17367744
3-[(2,3,4-trimethoxyphenyl)methylamino]propanamide
CID 43553337
N-[2-(4-methoxynaphthalen-1-yl)ethyl]butanamide
CID 163994355
2-[2-methoxy-6-(propylaminomethyl)phenoxy]-N-methylacetamide
CID 43472013
2-[[[3-(methylamino)-3-oxopropyl]amino]methyl]benzoic acid
CID 103245961
1-(4-methoxynaphthalen-1-yl)propan-2-one
CID 70461266
4-[(2,3,4-trimethoxyphenyl)methylamino]butanoic acid
CID 60782759
3-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylamino]-N-methylpropanamide
CID 104646206

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxynaphthalen-1-yl)methylamino]-N-methylpropanamide?
The IUPAC name of 3-[(4-methoxynaphthalen-1-yl)methylamino]-N-methylpropanamide (CID 78998463) is 3-[(4-methoxynaphthalen-1-yl)methylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[(4-methoxynaphthalen-1-yl)methylamino]-N-methylpropanamide?
The canonical SMILES for 3-[(4-methoxynaphthalen-1-yl)methylamino]-N-methylpropanamide is CNC(=O)CCNCc1ccc(OC)c2ccccc12.
What is the InChIKey of 3-[(4-methoxynaphthalen-1-yl)methylamino]-N-methylpropanamide?
The InChIKey is PEDAWMVDOCYFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-17-16(19)9-10-18-11-12-7-8-15(20-2)14-6-4-3-5-13(12)14/h3-8,18H,9-11H2,1-2H3,(H,17,19).
What are the key properties of 3-[(4-methoxynaphthalen-1-yl)methylamino]-N-methylpropanamide?
3-[(4-methoxynaphthalen-1-yl)methylamino]-N-methylpropanamide has a molecular weight of 272.35 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxynaphthalen-1-yl)methylamino]-N-methylpropanamide is sourced from PubChem (CID 78998463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).