N-[3-(2,4-dimethylphenyl)propyl]furan-3-carboxamide

C16H19NO2 — CID 24532417

IUPACN-[3-(2,4-dimethylphenyl)propyl]furan-3-carboxamide
SMILESCc1ccc(CCCNC(=O)c2ccoc2)c(C)c1
InChIInChI=1S/C16H19NO2/c1-12-5-6-14(13(2)10-12)4-3-8-17-16(18)15-7-9-19-11-15/h5-7,9-11H,3-4,8H2,1-2H3,(H,17,18)
InChIKeyMYZFZPMTAOITGX-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.26
Rot. Bonds5

About N-[3-(2,4-dimethylphenyl)propyl]furan-3-carboxamide

N-[3-(2,4-dimethylphenyl)propyl]furan-3-carboxamide (PubChem CID 24532417) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is N-[3-(2,4-dimethylphenyl)propyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2,4-dimethylphenyl)propyl]furan-3-carboxamide
PubChem CID24532417
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC NameN-[3-(2,4-dimethylphenyl)propyl]furan-3-carboxamide
SMILESCc1ccc(CCCNC(=O)c2ccoc2)c(C)c1
InChIInChI=1S/C16H19NO2/c1-12-5-6-14(13(2)10-12)4-3-8-17-16(18)15-7-9-19-11-15/h5-7,9-11H,3-4,8H2,1-2H3,(H,17,18)
InChIKeyMYZFZPMTAOITGX-UHFFFAOYSA-N
XLogP3.26
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.26
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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Related Compounds

N-[3-(2,4-dimethylphenyl)propyl]-2,5-dimethylthiophene-3-carboxamide
CID 24550071
N-pentylfuran-3-carboxamide
CID 91139562
4-(2-amino-2-oxoethoxy)-N-[3-(2,4-dimethylphenyl)propyl]benzamide
CID 24550092
N-decylfuran-3-carboxamide
CID 117059205
N-(4,4-dimethylpentyl)furan-3-carboxamide
CID 20774387
2-(2,4-dimethylphenyl)-N-[3-(furan-2-yl)propyl]acetamide
CID 100597098
N-[3-(2-fluoro-4-methylanilino)-3-oxopropyl]furan-3-carboxamide
CID 38741621
N-[2-[2-[(3-fluoro-4-methylbenzoyl)amino]ethylcarbamoylamino]ethyl]furan-3-carboxamide
CID 47071758
N-[3-(2,4-dimethylphenyl)propyl]-3-(oxolan-2-ylmethoxy)benzamide
CID 43044181
N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]furan-3-carboxamide
CID 122314731
N-[3-(3-hydroxypropylamino)-3-oxopropyl]furan-3-carboxamide
CID 43427988
N-[3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]furan-3-carboxamide
CID 38699898

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,4-dimethylphenyl)propyl]furan-3-carboxamide?
The IUPAC name of N-[3-(2,4-dimethylphenyl)propyl]furan-3-carboxamide (CID 24532417) is N-[3-(2,4-dimethylphenyl)propyl]furan-3-carboxamide.
What is the SMILES notation for N-[3-(2,4-dimethylphenyl)propyl]furan-3-carboxamide?
The canonical SMILES for N-[3-(2,4-dimethylphenyl)propyl]furan-3-carboxamide is Cc1ccc(CCCNC(=O)c2ccoc2)c(C)c1.
What is the InChIKey of N-[3-(2,4-dimethylphenyl)propyl]furan-3-carboxamide?
The InChIKey is MYZFZPMTAOITGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-12-5-6-14(13(2)10-12)4-3-8-17-16(18)15-7-9-19-11-15/h5-7,9-11H,3-4,8H2,1-2H3,(H,17,18).
What are the key properties of N-[3-(2,4-dimethylphenyl)propyl]furan-3-carboxamide?
N-[3-(2,4-dimethylphenyl)propyl]furan-3-carboxamide has a molecular weight of 257.33 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,4-dimethylphenyl)propyl]furan-3-carboxamide is sourced from PubChem (CID 24532417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).