2-methyl-N-(3-phenylpropyl)furan-3-carboxamide

C15H17NO2 — CID 2165345

IUPAC2-methyl-N-(3-phenylpropyl)furan-3-carboxamide
SMILESCc1occc1C(=O)NCCCc1ccccc1
InChIInChI=1S/C15H17NO2/c1-12-14(9-11-18-12)15(17)16-10-5-8-13-6-3-2-4-7-13/h2-4,6-7,9,11H,5,8,10H2,1H3,(H,16,17)
InChIKeyPKUWMTTUSBWEFC-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.95
Rot. Bonds5

About 2-methyl-N-(3-phenylpropyl)furan-3-carboxamide

2-methyl-N-(3-phenylpropyl)furan-3-carboxamide (PubChem CID 2165345) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-methyl-N-(3-phenylpropyl)furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(3-phenylpropyl)furan-3-carboxamide
PubChem CID2165345
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name2-methyl-N-(3-phenylpropyl)furan-3-carboxamide
SMILESCc1occc1C(=O)NCCCc1ccccc1
InChIInChI=1S/C15H17NO2/c1-12-14(9-11-18-12)15(17)16-10-5-8-13-6-3-2-4-7-13/h2-4,6-7,9,11H,5,8,10H2,1H3,(H,16,17)
InChIKeyPKUWMTTUSBWEFC-UHFFFAOYSA-N
XLogP2.95
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-methyl-N-(3-phenylpropyl)furan-3-carboxamide?
The IUPAC name of 2-methyl-N-(3-phenylpropyl)furan-3-carboxamide (CID 2165345) is 2-methyl-N-(3-phenylpropyl)furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(3-phenylpropyl)furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-(3-phenylpropyl)furan-3-carboxamide is Cc1occc1C(=O)NCCCc1ccccc1.
What is the InChIKey of 2-methyl-N-(3-phenylpropyl)furan-3-carboxamide?
The InChIKey is PKUWMTTUSBWEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-12-14(9-11-18-12)15(17)16-10-5-8-13-6-3-2-4-7-13/h2-4,6-7,9,11H,5,8,10H2,1H3,(H,16,17).
What are the key properties of 2-methyl-N-(3-phenylpropyl)furan-3-carboxamide?
2-methyl-N-(3-phenylpropyl)furan-3-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-phenylpropyl)furan-3-carboxamide is sourced from PubChem (CID 2165345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).