N-(furan-2-ylmethyl)-2-[[(Z)-3-(furan-2-yl)-2-phenylprop-2-enoyl]amino]benzamide

C25H20N2O4 — CID 2111571

IUPACN-(furan-2-ylmethyl)-2-[[(Z)-3-(furan-2-yl)-2-phenylprop-2-enoyl]amino]benzamide
SMILESO=C(Nc1ccccc1C(=O)NCc1ccco1)/C(=C\c1ccco1)c1ccccc1
InChIInChI=1S/C25H20N2O4/c28-24(26-17-20-11-7-15-31-20)21-12-4-5-13-23(21)27-25(29)22(16-19-10-6-14-30-19)18-8-2-1-3-9-18/h1-16H,17H2,(H,26,28)(H,27,29)/b22-16-
InChIKeyPQNILYNSHMCJOV-JWGURIENSA-N
MW412.45 g/mol
LogP4.98
Rot. Bonds7

About N-(furan-2-ylmethyl)-2-[[(Z)-3-(furan-2-yl)-2-phenylprop-2-enoyl]amino]benzamide

N-(furan-2-ylmethyl)-2-[[(Z)-3-(furan-2-yl)-2-phenylprop-2-enoyl]amino]benzamide (PubChem CID 2111571) has the molecular formula C25H20N2O4 and a molecular weight of 412.45 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[[(Z)-3-(furan-2-yl)-2-phenylprop-2-enoyl]amino]benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[[(Z)-3-(furan-2-yl)-2-phenylprop-2-enoyl]amino]benzamide
PubChem CID2111571
Molecular FormulaC25H20N2O4
Molecular Weight412.45 g/mol
Exact Mass412.14
IUPAC NameN-(furan-2-ylmethyl)-2-[[(Z)-3-(furan-2-yl)-2-phenylprop-2-enoyl]amino]benzamide
SMILESO=C(Nc1ccccc1C(=O)NCc1ccco1)/C(=C\c1ccco1)c1ccccc1
InChIInChI=1S/C25H20N2O4/c28-24(26-17-20-11-7-15-31-20)21-12-4-5-13-23(21)27-25(29)22(16-19-10-6-14-30-19)18-8-2-1-3-9-18/h1-16H,17H2,(H,26,28)(H,27,29)/b22-16-
InChIKeyPQNILYNSHMCJOV-JWGURIENSA-N
XLogP4.98
TPSA84.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(furan-2-ylmethyl)-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]benzamide
CID 6211874
N,N'-bis[2-(furan-2-ylmethylcarbamoyl)phenyl]hexanediamide
CID 4938791
N-(furan-2-ylmethyl)-2-[(4-phenylbenzoyl)amino]benzamide
CID 989147
2-[(2-bromoacetyl)amino]-N-(furan-2-ylmethyl)benzamide
CID 112547104
N-[2-(furan-2-ylmethylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 4922685
(E)-3-(furan-2-yl)-N-[2-(morpholine-4-carbonyl)phenyl]-2-phenylprop-2-enamide
CID 19631126
methyl 4-[[2-(furan-2-ylmethylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17178254
N-(furan-2-ylmethyl)-2-(heptanoylamino)benzamide
CID 36859009
6-[[2-(furan-2-ylmethylcarbamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 4592767
N-(furan-2-ylmethyl)-2-[[2-(2-methylphenyl)acetyl]carbamothioylamino]benzamide
CID 26163918
N-(furan-2-ylmethyl)-2-[[2-[[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide
CID 8772778
2-(3-cyclopentylpropanoylamino)-N-(furan-2-ylmethyl)benzamide
CID 16576953

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[[(Z)-3-(furan-2-yl)-2-phenylprop-2-enoyl]amino]benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[[(Z)-3-(furan-2-yl)-2-phenylprop-2-enoyl]amino]benzamide (CID 2111571) is N-(furan-2-ylmethyl)-2-[[(Z)-3-(furan-2-yl)-2-phenylprop-2-enoyl]amino]benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[[(Z)-3-(furan-2-yl)-2-phenylprop-2-enoyl]amino]benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[[(Z)-3-(furan-2-yl)-2-phenylprop-2-enoyl]amino]benzamide is O=C(Nc1ccccc1C(=O)NCc1ccco1)/C(=C\c1ccco1)c1ccccc1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[[(Z)-3-(furan-2-yl)-2-phenylprop-2-enoyl]amino]benzamide?
The InChIKey is PQNILYNSHMCJOV-JWGURIENSA-N. The full InChI is InChI=1S/C25H20N2O4/c28-24(26-17-20-11-7-15-31-20)21-12-4-5-13-23(21)27-25(29)22(16-19-10-6-14-30-19)18-8-2-1-3-9-18/h1-16H,17H2,(H,26,28)(H,27,29)/b22-16-.
What are the key properties of N-(furan-2-ylmethyl)-2-[[(Z)-3-(furan-2-yl)-2-phenylprop-2-enoyl]amino]benzamide?
N-(furan-2-ylmethyl)-2-[[(Z)-3-(furan-2-yl)-2-phenylprop-2-enoyl]amino]benzamide has a molecular weight of 412.45 g/mol, XLogP of 4.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[[(Z)-3-(furan-2-yl)-2-phenylprop-2-enoyl]amino]benzamide is sourced from PubChem (CID 2111571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).