N-[(E)-[1-(2-hydroxyphenyl)-3-phenylpropylidene]amino]-2-methylfuran-3-carboxamide

C21H20N2O3 — CID 135576103

IUPACN-[(E)-[1-(2-hydroxyphenyl)-3-phenylpropylidene]amino]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)N/N=C(\CCc1ccccc1)c1ccccc1O
InChIInChI=1S/C21H20N2O3/c1-15-17(13-14-26-15)21(25)23-22-19(18-9-5-6-10-20(18)24)12-11-16-7-3-2-4-8-16/h2-10,13-14,24H,11-12H2,1H3,(H,23,25)/b22-19+
InChIKeyVWTAULQEBPJABC-ZBJSNUHESA-N
MW348.40 g/mol
LogP4.06
Rot. Bonds6

About N-[(E)-[1-(2-hydroxyphenyl)-3-phenylpropylidene]amino]-2-methylfuran-3-carboxamide

N-[(E)-[1-(2-hydroxyphenyl)-3-phenylpropylidene]amino]-2-methylfuran-3-carboxamide (PubChem CID 135576103) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is N-[(E)-[1-(2-hydroxyphenyl)-3-phenylpropylidene]amino]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-[1-(2-hydroxyphenyl)-3-phenylpropylidene]amino]-2-methylfuran-3-carboxamide
PubChem CID135576103
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC NameN-[(E)-[1-(2-hydroxyphenyl)-3-phenylpropylidene]amino]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)N/N=C(\CCc1ccccc1)c1ccccc1O
InChIInChI=1S/C21H20N2O3/c1-15-17(13-14-26-15)21(25)23-22-19(18-9-5-6-10-20(18)24)12-11-16-7-3-2-4-8-16/h2-10,13-14,24H,11-12H2,1H3,(H,23,25)/b22-19+
InChIKeyVWTAULQEBPJABC-ZBJSNUHESA-N
XLogP4.06
TPSA74.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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)-[1-(2-hydroxyphenyl)-3-phenylpropylidene]amino]benzamide
CID 135730522
2-methyl-N-[1-(5-methylfuran-2-yl)propylideneamino]furan-3-carboxamide
CID 842534
2-methyl-N-[(Z)-1-thiophen-2-ylbutylideneamino]furan-3-carboxamide
CID 6517419
2-methyl-N-[(Z)-1-(4-phenylmethoxyphenyl)ethylideneamino]furan-3-carboxamide
CID 9359637
2-[(E)-N-hydroxy-C-(2-phenylethyl)carbonimidoyl]phenol;hydrate
CID 137291939
2-methyl-N-[[phenyl-(4-phenylphenyl)methylidene]amino]furan-3-carboxamide
CID 5016586
3-[4-[(2-methylfuran-3-carbonyl)amino]phenyl]propanoic acid
CID 29261712
N-[(E)-[1-(2-hydroxyphenyl)-3-phenylpropylidene]amino]-4-oxo-3H-phthalazine-1-carboxamide
CID 135785092
[(E)-[1-(2,4-dihydroxyphenyl)-3-phenylpropylidene]amino]urea
CID 135699730
1-[(2-methylfuran-3-carbonyl)amino]-3-(4-phenylbutan-2-yl)urea
CID 42952795
2-methyl-N-[(E)-[4-(naphthalen-1-ylamino)-4-oxobutan-2-ylidene]amino]furan-3-carboxamide
CID 5343180
N-(fluoren-9-ylideneamino)-2-methylfuran-3-carboxamide
CID 801146

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[1-(2-hydroxyphenyl)-3-phenylpropylidene]amino]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[(E)-[1-(2-hydroxyphenyl)-3-phenylpropylidene]amino]-2-methylfuran-3-carboxamide (CID 135576103) is N-[(E)-[1-(2-hydroxyphenyl)-3-phenylpropylidene]amino]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[(E)-[1-(2-hydroxyphenyl)-3-phenylpropylidene]amino]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[(E)-[1-(2-hydroxyphenyl)-3-phenylpropylidene]amino]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)N/N=C(\CCc1ccccc1)c1ccccc1O.
What is the InChIKey of N-[(E)-[1-(2-hydroxyphenyl)-3-phenylpropylidene]amino]-2-methylfuran-3-carboxamide?
The InChIKey is VWTAULQEBPJABC-ZBJSNUHESA-N. The full InChI is InChI=1S/C21H20N2O3/c1-15-17(13-14-26-15)21(25)23-22-19(18-9-5-6-10-20(18)24)12-11-16-7-3-2-4-8-16/h2-10,13-14,24H,11-12H2,1H3,(H,23,25)/b22-19+.
What are the key properties of N-[(E)-[1-(2-hydroxyphenyl)-3-phenylpropylidene]amino]-2-methylfuran-3-carboxamide?
N-[(E)-[1-(2-hydroxyphenyl)-3-phenylpropylidene]amino]-2-methylfuran-3-carboxamide has a molecular weight of 348.40 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[1-(2-hydroxyphenyl)-3-phenylpropylidene]amino]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 135576103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).