2-methyl-5-(2-methylpropyl)-N-naphthalen-1-ylfuran-3-carboxamide

C20H21NO2 — CID 597032

IUPAC2-methyl-5-(2-methylpropyl)-N-naphthalen-1-ylfuran-3-carboxamide
SMILESCc1oc(CC(C)C)cc1C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C20H21NO2/c1-13(2)11-16-12-18(14(3)23-16)20(22)21-19-10-6-8-15-7-4-5-9-17(15)19/h4-10,12-13H,11H2,1-3H3,(H,21,22)
InChIKeyZVRSMKNTOQLIHK-UHFFFAOYSA-N
MW307.39 g/mol
LogP5.19
Rot. Bonds4

About 2-methyl-5-(2-methylpropyl)-N-naphthalen-1-ylfuran-3-carboxamide

2-methyl-5-(2-methylpropyl)-N-naphthalen-1-ylfuran-3-carboxamide (PubChem CID 597032) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is 2-methyl-5-(2-methylpropyl)-N-naphthalen-1-ylfuran-3-carboxamide.

Molecular Properties

Compound Name2-methyl-5-(2-methylpropyl)-N-naphthalen-1-ylfuran-3-carboxamide
PubChem CID597032
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name2-methyl-5-(2-methylpropyl)-N-naphthalen-1-ylfuran-3-carboxamide
SMILESCc1oc(CC(C)C)cc1C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C20H21NO2/c1-13(2)11-16-12-18(14(3)23-16)20(22)21-19-10-6-8-15-7-4-5-9-17(15)19/h4-10,12-13H,11H2,1-3H3,(H,21,22)
InChIKeyZVRSMKNTOQLIHK-UHFFFAOYSA-N
XLogP5.19
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.39
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-methylpropyl)-N-naphthalen-1-ylfuran-3-carboxamide?
The IUPAC name of 2-methyl-5-(2-methylpropyl)-N-naphthalen-1-ylfuran-3-carboxamide (CID 597032) is 2-methyl-5-(2-methylpropyl)-N-naphthalen-1-ylfuran-3-carboxamide.
What is the SMILES notation for 2-methyl-5-(2-methylpropyl)-N-naphthalen-1-ylfuran-3-carboxamide?
The canonical SMILES for 2-methyl-5-(2-methylpropyl)-N-naphthalen-1-ylfuran-3-carboxamide is Cc1oc(CC(C)C)cc1C(=O)Nc1cccc2ccccc12.
What is the InChIKey of 2-methyl-5-(2-methylpropyl)-N-naphthalen-1-ylfuran-3-carboxamide?
The InChIKey is ZVRSMKNTOQLIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c1-13(2)11-16-12-18(14(3)23-16)20(22)21-19-10-6-8-15-7-4-5-9-17(15)19/h4-10,12-13H,11H2,1-3H3,(H,21,22).
What are the key properties of 2-methyl-5-(2-methylpropyl)-N-naphthalen-1-ylfuran-3-carboxamide?
2-methyl-5-(2-methylpropyl)-N-naphthalen-1-ylfuran-3-carboxamide has a molecular weight of 307.39 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-methylpropyl)-N-naphthalen-1-ylfuran-3-carboxamide is sourced from PubChem (CID 597032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).