N-[3-[(Z)-N-(furan-2-carbonylamino)-C-methylcarbonimidoyl]phenyl]-5-methylfuran-2-carboxamide

C19H17N3O4 — CID 5431302

IUPACN-[3-[(Z)-N-(furan-2-carbonylamino)-C-methylcarbonimidoyl]phenyl]-5-methylfuran-2-carboxamide
SMILESC/C(=N/NC(=O)c1ccco1)c1cccc(NC(=O)c2ccc(C)o2)c1
InChIInChI=1S/C19H17N3O4/c1-12-8-9-17(26-12)18(23)20-15-6-3-5-14(11-15)13(2)21-22-19(24)16-7-4-10-25-16/h3-11H,1-2H3,(H,20,23)(H,22,24)/b21-13-
InChIKeyXJSJJTZFMRJRBY-BKUYFWCQSA-N
MW351.36 g/mol
LogP3.59
Rot. Bonds5

About N-[3-[(Z)-N-(furan-2-carbonylamino)-C-methylcarbonimidoyl]phenyl]-5-methylfuran-2-carboxamide

N-[3-[(Z)-N-(furan-2-carbonylamino)-C-methylcarbonimidoyl]phenyl]-5-methylfuran-2-carboxamide (PubChem CID 5431302) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is N-[3-[(Z)-N-(furan-2-carbonylamino)-C-methylcarbonimidoyl]phenyl]-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(Z)-N-(furan-2-carbonylamino)-C-methylcarbonimidoyl]phenyl]-5-methylfuran-2-carboxamide
PubChem CID5431302
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC NameN-[3-[(Z)-N-(furan-2-carbonylamino)-C-methylcarbonimidoyl]phenyl]-5-methylfuran-2-carboxamide
SMILESC/C(=N/NC(=O)c1ccco1)c1cccc(NC(=O)c2ccc(C)o2)c1
InChIInChI=1S/C19H17N3O4/c1-12-8-9-17(26-12)18(23)20-15-6-3-5-14(11-15)13(2)21-22-19(24)16-7-4-10-25-16/h3-11H,1-2H3,(H,20,23)(H,22,24)/b21-13-
InChIKeyXJSJJTZFMRJRBY-BKUYFWCQSA-N
XLogP3.59
TPSA96.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(Z)-N-(furan-2-carbonylamino)-C-methylcarbonimidoyl]phenyl]-5-methylfuran-2-carboxamide?
The IUPAC name of N-[3-[(Z)-N-(furan-2-carbonylamino)-C-methylcarbonimidoyl]phenyl]-5-methylfuran-2-carboxamide (CID 5431302) is N-[3-[(Z)-N-(furan-2-carbonylamino)-C-methylcarbonimidoyl]phenyl]-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-[3-[(Z)-N-(furan-2-carbonylamino)-C-methylcarbonimidoyl]phenyl]-5-methylfuran-2-carboxamide?
The canonical SMILES for N-[3-[(Z)-N-(furan-2-carbonylamino)-C-methylcarbonimidoyl]phenyl]-5-methylfuran-2-carboxamide is C/C(=N/NC(=O)c1ccco1)c1cccc(NC(=O)c2ccc(C)o2)c1.
What is the InChIKey of N-[3-[(Z)-N-(furan-2-carbonylamino)-C-methylcarbonimidoyl]phenyl]-5-methylfuran-2-carboxamide?
The InChIKey is XJSJJTZFMRJRBY-BKUYFWCQSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-12-8-9-17(26-12)18(23)20-15-6-3-5-14(11-15)13(2)21-22-19(24)16-7-4-10-25-16/h3-11H,1-2H3,(H,20,23)(H,22,24)/b21-13-.
What are the key properties of N-[3-[(Z)-N-(furan-2-carbonylamino)-C-methylcarbonimidoyl]phenyl]-5-methylfuran-2-carboxamide?
N-[3-[(Z)-N-(furan-2-carbonylamino)-C-methylcarbonimidoyl]phenyl]-5-methylfuran-2-carboxamide has a molecular weight of 351.36 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(Z)-N-(furan-2-carbonylamino)-C-methylcarbonimidoyl]phenyl]-5-methylfuran-2-carboxamide is sourced from PubChem (CID 5431302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).