N-[2-(furan-2-carbonylamino)ethyl]-2,5-dimethylfuran-3-carboxamide

C14H16N2O4 — CID 30797202

IUPACN-[2-(furan-2-carbonylamino)ethyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCCNC(=O)c2ccco2)c(C)o1
InChIInChI=1S/C14H16N2O4/c1-9-8-11(10(2)20-9)13(17)15-5-6-16-14(18)12-4-3-7-19-12/h3-4,7-8H,5-6H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyUNHVFYSEVHCUJY-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.65
Rot. Bonds5

About N-[2-(furan-2-carbonylamino)ethyl]-2,5-dimethylfuran-3-carboxamide

N-[2-(furan-2-carbonylamino)ethyl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 30797202) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is N-[2-(furan-2-carbonylamino)ethyl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-carbonylamino)ethyl]-2,5-dimethylfuran-3-carboxamide
PubChem CID30797202
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC NameN-[2-(furan-2-carbonylamino)ethyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCCNC(=O)c2ccco2)c(C)o1
InChIInChI=1S/C14H16N2O4/c1-9-8-11(10(2)20-9)13(17)15-5-6-16-14(18)12-4-3-7-19-12/h3-4,7-8H,5-6H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyUNHVFYSEVHCUJY-UHFFFAOYSA-N
XLogP1.65
TPSA84.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-4-oxobutyl]furan-2-carboxamide
CID 34282135
N-[[4-(furan-2-carbonylamino)phenyl]methyl]-2,5-dimethylfuran-3-carboxamide
CID 42018071
N-[2-(furan-3-yl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 90558255
N-[2-[(2-fluoro-4-methoxybenzoyl)amino]ethyl]furan-2-carboxamide
CID 86920882
N-[2-[(2-methyl-5-sulfamoylbenzoyl)amino]ethyl]furan-2-carboxamide
CID 30797230
N-[10-(furan-2-carbonylamino)decyl]furan-2-carboxamide
CID 3147438
N-[[2-(furan-2-yl)-4-pyridinyl]methyl]-2,5-dimethylfuran-3-carboxamide
CID 91630425
N-(3-chloropropyl)-2,5-dimethylfuran-3-carboxamide
CID 17165083
2,5-dimethyl-N-(3-methylbutyl)furan-3-carboxamide
CID 35523982
2-[(2,5-dimethylfuran-3-carbonyl)amino]ethyl-dimethylazanium
CID 7346584
N-[2-[(2-chloroacetyl)amino]ethyl]furan-2-carboxamide
CID 108571159
N-[2-(3,4-dihydroxyphenyl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 25199546

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-carbonylamino)ethyl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[2-(furan-2-carbonylamino)ethyl]-2,5-dimethylfuran-3-carboxamide (CID 30797202) is N-[2-(furan-2-carbonylamino)ethyl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[2-(furan-2-carbonylamino)ethyl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[2-(furan-2-carbonylamino)ethyl]-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)NCCNC(=O)c2ccco2)c(C)o1.
What is the InChIKey of N-[2-(furan-2-carbonylamino)ethyl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is UNHVFYSEVHCUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-9-8-11(10(2)20-9)13(17)15-5-6-16-14(18)12-4-3-7-19-12/h3-4,7-8H,5-6H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N-[2-(furan-2-carbonylamino)ethyl]-2,5-dimethylfuran-3-carboxamide?
N-[2-(furan-2-carbonylamino)ethyl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 276.29 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-carbonylamino)ethyl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 30797202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).