N-[2-[(4-methoxynaphthalen-1-yl)methylamino]ethyl]acetamide

C16H20N2O2 — CID 78974984

IUPACN-[2-[(4-methoxynaphthalen-1-yl)methylamino]ethyl]acetamide
SMILESCOc1ccc(CNCCNC(C)=O)c2ccccc12
InChIInChI=1S/C16H20N2O2/c1-12(19)18-10-9-17-11-13-7-8-16(20-2)15-6-4-3-5-14(13)15/h3-8,17H,9-11H2,1-2H3,(H,18,19)
InChIKeyARTLPBJCKRRIII-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.07
Rot. Bonds6

About N-[2-[(4-methoxynaphthalen-1-yl)methylamino]ethyl]acetamide

N-[2-[(4-methoxynaphthalen-1-yl)methylamino]ethyl]acetamide (PubChem CID 78974984) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[2-[(4-methoxynaphthalen-1-yl)methylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(4-methoxynaphthalen-1-yl)methylamino]ethyl]acetamide
PubChem CID78974984
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-[2-[(4-methoxynaphthalen-1-yl)methylamino]ethyl]acetamide
SMILESCOc1ccc(CNCCNC(C)=O)c2ccccc12
InChIInChI=1S/C16H20N2O2/c1-12(19)18-10-9-17-11-13-7-8-16(20-2)15-6-4-3-5-14(13)15/h3-8,17H,9-11H2,1-2H3,(H,18,19)
InChIKeyARTLPBJCKRRIII-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

3-[(4-methoxynaphthalen-1-yl)methylamino]-N-methylpropanamide
CID 78998463
N-[3-[(2,3-dimethoxyphenyl)methylamino]propyl]acetamide
CID 82364656
3-[(4-methoxynaphthalen-1-yl)methylamino]propanenitrile
CID 78974976
2-(2-fluorophenyl)-N-[(4-methoxynaphthalen-1-yl)methyl]ethanamine;oxalic acid
CID 17367744
N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 18425632
1-(4-methoxynaphthalen-1-yl)propan-2-one
CID 70461266
N-benzyl-3-[(2,3,4-trimethoxyphenyl)methylamino]propanamide
CID 51129427
2-(hydroxymethyl)-2-[(4-methoxynaphthalen-1-yl)methylamino]propane-1,3-diol
CID 107850406
N'-[(2,3,4-trimethoxyphenyl)methyl]-N-[2-[(2,3,4-trimethoxyphenyl)methylamino]ethyl]ethane-1,2-diamine;trihydrochloride
CID 139593123
2-[(2-methoxyphenyl)methylamino]ethylurea
CID 83109260
N-[2-(4-methoxynaphthalen-1-yl)ethyl]butanamide
CID 163994355
2-(1,3-benzodioxol-5-yl)-N-[(4-methoxynaphthalen-1-yl)methyl]ethanamine;oxalic acid
CID 126468857

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methoxynaphthalen-1-yl)methylamino]ethyl]acetamide?
The IUPAC name of N-[2-[(4-methoxynaphthalen-1-yl)methylamino]ethyl]acetamide (CID 78974984) is N-[2-[(4-methoxynaphthalen-1-yl)methylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(4-methoxynaphthalen-1-yl)methylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[(4-methoxynaphthalen-1-yl)methylamino]ethyl]acetamide is COc1ccc(CNCCNC(C)=O)c2ccccc12.
What is the InChIKey of N-[2-[(4-methoxynaphthalen-1-yl)methylamino]ethyl]acetamide?
The InChIKey is ARTLPBJCKRRIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-12(19)18-10-9-17-11-13-7-8-16(20-2)15-6-4-3-5-14(13)15/h3-8,17H,9-11H2,1-2H3,(H,18,19).
What are the key properties of N-[2-[(4-methoxynaphthalen-1-yl)methylamino]ethyl]acetamide?
N-[2-[(4-methoxynaphthalen-1-yl)methylamino]ethyl]acetamide 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 N-[2-[(4-methoxynaphthalen-1-yl)methylamino]ethyl]acetamide is sourced from PubChem (CID 78974984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).