N-[4-(butylamino)-6,7-dimethoxynaphthalen-2-yl]acetamide

C18H24N2O3 — CID 2253328

IUPACN-[4-(butylamino)-6,7-dimethoxynaphthalen-2-yl]acetamide
SMILESCCCCNc1cc(NC(C)=O)cc2cc(OC)c(OC)cc12
InChIInChI=1S/C18H24N2O3/c1-5-6-7-19-16-10-14(20-12(2)21)8-13-9-17(22-3)18(23-4)11-15(13)16/h8-11,19H,5-7H2,1-4H3,(H,20,21)
InChIKeyHGGSYJSJSPZXSF-UHFFFAOYSA-N
MW316.40 g/mol
LogP4.03
Rot. Bonds7

About N-[4-(butylamino)-6,7-dimethoxynaphthalen-2-yl]acetamide

N-[4-(butylamino)-6,7-dimethoxynaphthalen-2-yl]acetamide (PubChem CID 2253328) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[4-(butylamino)-6,7-dimethoxynaphthalen-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(butylamino)-6,7-dimethoxynaphthalen-2-yl]acetamide
PubChem CID2253328
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC NameN-[4-(butylamino)-6,7-dimethoxynaphthalen-2-yl]acetamide
SMILESCCCCNc1cc(NC(C)=O)cc2cc(OC)c(OC)cc12
InChIInChI=1S/C18H24N2O3/c1-5-6-7-19-16-10-14(20-12(2)21)8-13-9-17(22-3)18(23-4)11-15(13)16/h8-11,19H,5-7H2,1-4H3,(H,20,21)
InChIKeyHGGSYJSJSPZXSF-UHFFFAOYSA-N
XLogP4.03
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.03
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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Frequently Asked Questions

What is the IUPAC name of N-[4-(butylamino)-6,7-dimethoxynaphthalen-2-yl]acetamide?
The IUPAC name of N-[4-(butylamino)-6,7-dimethoxynaphthalen-2-yl]acetamide (CID 2253328) is N-[4-(butylamino)-6,7-dimethoxynaphthalen-2-yl]acetamide.
What is the SMILES notation for N-[4-(butylamino)-6,7-dimethoxynaphthalen-2-yl]acetamide?
The canonical SMILES for N-[4-(butylamino)-6,7-dimethoxynaphthalen-2-yl]acetamide is CCCCNc1cc(NC(C)=O)cc2cc(OC)c(OC)cc12.
What is the InChIKey of N-[4-(butylamino)-6,7-dimethoxynaphthalen-2-yl]acetamide?
The InChIKey is HGGSYJSJSPZXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-5-6-7-19-16-10-14(20-12(2)21)8-13-9-17(22-3)18(23-4)11-15(13)16/h8-11,19H,5-7H2,1-4H3,(H,20,21).
What are the key properties of N-[4-(butylamino)-6,7-dimethoxynaphthalen-2-yl]acetamide?
N-[4-(butylamino)-6,7-dimethoxynaphthalen-2-yl]acetamide has a molecular weight of 316.40 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(butylamino)-6,7-dimethoxynaphthalen-2-yl]acetamide is sourced from PubChem (CID 2253328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).