N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-hydroxy-2,2-diphenylacetamide

C21H18N2O3 — CID 5369634

IUPACN-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-hydroxy-2,2-diphenylacetamide
SMILESO=C(N/N=C\C=C\c1ccco1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H18N2O3/c24-20(23-22-15-7-13-19-14-8-16-26-19)21(25,17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-16,25H,(H,23,24)/b13-7+,22-15-
InChIKeyPTLZQYOTDOLGLW-VEJJZHSVSA-N
MW346.39 g/mol
LogP3.33
Rot. Bonds6

About N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-hydroxy-2,2-diphenylacetamide

N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-hydroxy-2,2-diphenylacetamide (PubChem CID 5369634) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-hydroxy-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-hydroxy-2,2-diphenylacetamide
PubChem CID5369634
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC NameN-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-hydroxy-2,2-diphenylacetamide
SMILESO=C(N/N=C\C=C\c1ccco1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H18N2O3/c24-20(23-22-15-7-13-19-14-8-16-26-19)21(25,17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-16,25H,(H,23,24)/b13-7+,22-15-
InChIKeyPTLZQYOTDOLGLW-VEJJZHSVSA-N
XLogP3.33
TPSA74.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

2-hydroxy-N-[(E)-[(2E)-2-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]ethylidene]amino]-2,2-diphenylacetamide
CID 46495023
N-[[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-hydroxy-2-phenylacetamide
CID 11958888
2-hydroxy-N-[(E)-[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]-2,2-diphenylacetamide
CID 5338017
N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]pyridine-4-carboxamide
CID 6893827
N-[3-(furan-2-yl)prop-2-enylideneamino]pyridine-4-carboxamide
CID 2853290
N-[[(Z)-3-(furan-2-yl)prop-2-enylidene]amino]-2-naphthalen-2-yloxyacetamide
CID 129441481
N-[3-(furan-2-yl)prop-2-enylideneamino]-2-(3-methylanilino)acetamide
CID 6834782
cis-(1S,2R)-2-(4-tert-butylphenyl)-N-[[(E)-3-(furan-2-yl)prop-2-enylidene]amino]cyclopropane-1-carboxamide
CID 129440322
2-(4-benzylpiperazin-1-yl)-N-[3-(furan-2-yl)prop-2-enylideneamino]acetamide
CID 5061171
2-(4-benzylpiperazin-1-yl)-N-[(Z)-[(Z)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide
CID 6865026
N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]pyrazine-2-carboxamide
CID 6883391
N-[[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-4-hydroxy-1-phenylpyrazole-3-carboxamide
CID 129431954

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-hydroxy-2,2-diphenylacetamide?
The IUPAC name of N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-hydroxy-2,2-diphenylacetamide (CID 5369634) is N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-hydroxy-2,2-diphenylacetamide.
What is the SMILES notation for N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-hydroxy-2,2-diphenylacetamide?
The canonical SMILES for N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-hydroxy-2,2-diphenylacetamide is O=C(N/N=C\C=C\c1ccco1)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-hydroxy-2,2-diphenylacetamide?
The InChIKey is PTLZQYOTDOLGLW-VEJJZHSVSA-N. The full InChI is InChI=1S/C21H18N2O3/c24-20(23-22-15-7-13-19-14-8-16-26-19)21(25,17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-16,25H,(H,23,24)/b13-7+,22-15-.
What are the key properties of N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-hydroxy-2,2-diphenylacetamide?
N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-hydroxy-2,2-diphenylacetamide has a molecular weight of 346.39 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-hydroxy-2,2-diphenylacetamide is sourced from PubChem (CID 5369634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).