N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide

C18H21NO2 — CID 90650561

IUPACN-methyl-N-[(5-methylfuran-2-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESCc1ccc(CN(C)C(=O)C2CCc3ccccc3C2)o1
InChIInChI=1S/C18H21NO2/c1-13-7-10-17(21-13)12-19(2)18(20)16-9-8-14-5-3-4-6-15(14)11-16/h3-7,10,16H,8-9,11-12H2,1-2H3
InChIKeyGGNAPTBHBPMBTA-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.35
Rot. Bonds3

About N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide

N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide (PubChem CID 90650561) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
PubChem CID90650561
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESCc1ccc(CN(C)C(=O)C2CCc3ccccc3C2)o1
InChIInChI=1S/C18H21NO2/c1-13-7-10-17(21-13)12-19(2)18(20)16-9-8-14-5-3-4-6-15(14)11-16/h3-7,10,16H,8-9,11-12H2,1-2H3
InChIKeyGGNAPTBHBPMBTA-UHFFFAOYSA-N
XLogP3.35
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide (CID 90650561) is N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide is Cc1ccc(CN(C)C(=O)C2CCc3ccccc3C2)o1.
What is the InChIKey of N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The InChIKey is GGNAPTBHBPMBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-13-7-10-17(21-13)12-19(2)18(20)16-9-8-14-5-3-4-6-15(14)11-16/h3-7,10,16H,8-9,11-12H2,1-2H3.
What are the key properties of N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide has a molecular weight of 283.37 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 90650561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).