N-[5,8-dimethoxy-1-(2-oxoethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide

C16H21NO4 — CID 57203626

IUPACN-[5,8-dimethoxy-1-(2-oxoethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide
SMILESCOc1ccc(OC)c2c1CCC(NC(C)=O)C2CC=O
InChIInChI=1S/C16H21NO4/c1-10(19)17-13-5-4-12-14(20-2)6-7-15(21-3)16(12)11(13)8-9-18/h6-7,9,11,13H,4-5,8H2,1-3H3,(H,17,19)
InChIKeyQTCMDFCCKMYAIJ-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.83
Rot. Bonds5

About N-[5,8-dimethoxy-1-(2-oxoethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide

N-[5,8-dimethoxy-1-(2-oxoethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide (PubChem CID 57203626) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[5,8-dimethoxy-1-(2-oxoethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide.

Molecular Properties

Compound NameN-[5,8-dimethoxy-1-(2-oxoethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide
PubChem CID57203626
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC NameN-[5,8-dimethoxy-1-(2-oxoethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide
SMILESCOc1ccc(OC)c2c1CCC(NC(C)=O)C2CC=O
InChIInChI=1S/C16H21NO4/c1-10(19)17-13-5-4-12-14(20-2)6-7-15(21-3)16(12)11(13)8-9-18/h6-7,9,11,13H,4-5,8H2,1-3H3,(H,17,19)
InChIKeyQTCMDFCCKMYAIJ-UHFFFAOYSA-N
XLogP1.83
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5,8-dimethoxy-1-(2-oxoethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide?
The IUPAC name of N-[5,8-dimethoxy-1-(2-oxoethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide (CID 57203626) is N-[5,8-dimethoxy-1-(2-oxoethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide.
What is the SMILES notation for N-[5,8-dimethoxy-1-(2-oxoethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide?
The canonical SMILES for N-[5,8-dimethoxy-1-(2-oxoethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide is COc1ccc(OC)c2c1CCC(NC(C)=O)C2CC=O.
What is the InChIKey of N-[5,8-dimethoxy-1-(2-oxoethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide?
The InChIKey is QTCMDFCCKMYAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-10(19)17-13-5-4-12-14(20-2)6-7-15(21-3)16(12)11(13)8-9-18/h6-7,9,11,13H,4-5,8H2,1-3H3,(H,17,19).
What are the key properties of N-[5,8-dimethoxy-1-(2-oxoethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide?
N-[5,8-dimethoxy-1-(2-oxoethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide has a molecular weight of 291.35 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5,8-dimethoxy-1-(2-oxoethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide is sourced from PubChem (CID 57203626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).