N-[[4-(furan-2-carbonylamino)phenyl]methyl]-2,5-dimethylfuran-3-carboxamide

C19H18N2O4 — CID 42018071

IUPACN-[[4-(furan-2-carbonylamino)phenyl]methyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(NC(=O)c3ccco3)cc2)c(C)o1
InChIInChI=1S/C19H18N2O4/c1-12-10-16(13(2)25-12)18(22)20-11-14-5-7-15(8-6-14)21-19(23)17-4-3-9-24-17/h3-10H,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyLSYZTAPYLHRDLZ-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.67
Rot. Bonds5

About N-[[4-(furan-2-carbonylamino)phenyl]methyl]-2,5-dimethylfuran-3-carboxamide

N-[[4-(furan-2-carbonylamino)phenyl]methyl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 42018071) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is N-[[4-(furan-2-carbonylamino)phenyl]methyl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(furan-2-carbonylamino)phenyl]methyl]-2,5-dimethylfuran-3-carboxamide
PubChem CID42018071
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC NameN-[[4-(furan-2-carbonylamino)phenyl]methyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(NC(=O)c3ccco3)cc2)c(C)o1
InChIInChI=1S/C19H18N2O4/c1-12-10-16(13(2)25-12)18(22)20-11-14-5-7-15(8-6-14)21-19(23)17-4-3-9-24-17/h3-10H,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyLSYZTAPYLHRDLZ-UHFFFAOYSA-N
XLogP3.67
TPSA84.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(furan-2-carbonylamino)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 30797202
N-[[4-(furan-2-carbonylamino)phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51327722
N-[4-[(4-acetamidophenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 24628897
ethyl N-[[4-(furan-2-carbonylamino)phenyl]methyl]carbamate
CID 60712061
N-[4-[[[2-(N-methylanilino)benzoyl]amino]methyl]phenyl]furan-2-carboxamide
CID 55759056
N-[4-[[(2-ethoxybenzoyl)amino]methyl]phenyl]furan-2-carboxamide
CID 42017998
N-[4-[[(3-bromo-4-methylphenyl)carbamoylamino]methyl]phenyl]furan-2-carboxamide
CID 78870406
N-[4-[(4-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55589199
N-[4-[[(5-ethyl-4-methylthiophene-2-carbonyl)amino]methyl]phenyl]furan-2-carboxamide
CID 51327731
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[[2-(furan-2-yl)-4-pyridinyl]methyl]-2,5-dimethylfuran-3-carboxamide
CID 91630425
N-[[4-(furan-2-carbonylamino)phenyl]methyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 55758769

Frequently Asked Questions

What is the IUPAC name of N-[[4-(furan-2-carbonylamino)phenyl]methyl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[[4-(furan-2-carbonylamino)phenyl]methyl]-2,5-dimethylfuran-3-carboxamide (CID 42018071) is N-[[4-(furan-2-carbonylamino)phenyl]methyl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[[4-(furan-2-carbonylamino)phenyl]methyl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[[4-(furan-2-carbonylamino)phenyl]methyl]-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)NCc2ccc(NC(=O)c3ccco3)cc2)c(C)o1.
What is the InChIKey of N-[[4-(furan-2-carbonylamino)phenyl]methyl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is LSYZTAPYLHRDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-12-10-16(13(2)25-12)18(22)20-11-14-5-7-15(8-6-14)21-19(23)17-4-3-9-24-17/h3-10H,11H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-[[4-(furan-2-carbonylamino)phenyl]methyl]-2,5-dimethylfuran-3-carboxamide?
N-[[4-(furan-2-carbonylamino)phenyl]methyl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 338.36 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(furan-2-carbonylamino)phenyl]methyl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 42018071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).