(E)-N-hydroxy-3-[5-[[(4-phenylphenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]prop-2-enamide

C24H26N2O3 — CID 71770195

IUPAC(E)-N-hydroxy-3-[5-[[(4-phenylphenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]prop-2-enamide
SMILESCC(C)N(Cc1ccc(-c2ccccc2)cc1)Cc1ccc(/C=C/C(=O)NO)o1
InChIInChI=1S/C24H26N2O3/c1-18(2)26(17-23-13-12-22(29-23)14-15-24(27)25-28)16-19-8-10-21(11-9-19)20-6-4-3-5-7-20/h3-15,18,28H,16-17H2,1-2H3,(H,25,27)/b15-14+
InChIKeyZPKDKHUWTQTDNX-CCEZHUSRSA-N
MW390.48 g/mol
LogP4.88
Rot. Bonds8

About (E)-N-hydroxy-3-[5-[[(4-phenylphenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]prop-2-enamide

(E)-N-hydroxy-3-[5-[[(4-phenylphenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]prop-2-enamide (PubChem CID 71770195) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[5-[[(4-phenylphenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[5-[[(4-phenylphenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]prop-2-enamide
PubChem CID71770195
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name(E)-N-hydroxy-3-[5-[[(4-phenylphenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]prop-2-enamide
SMILESCC(C)N(Cc1ccc(-c2ccccc2)cc1)Cc1ccc(/C=C/C(=O)NO)o1
InChIInChI=1S/C24H26N2O3/c1-18(2)26(17-23-13-12-22(29-23)14-15-24(27)25-28)16-19-8-10-21(11-9-19)20-6-4-3-5-7-20/h3-15,18,28H,16-17H2,1-2H3,(H,25,27)/b15-14+
InChIKeyZPKDKHUWTQTDNX-CCEZHUSRSA-N
XLogP4.88
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1,2-Diphenylethyl)-2-furanmethanamine
CID 3150631
[4-(5-{4-[Bis-(4-fluoro-phenyl)-methyl]-piperazin-1-ylmethyl}-furan-2-yl)-but-3-ynyl]-N-hydroxyurea
CID 10051425
N-hydroxy-N-[1-(5-mesityl-2-furyl)ethyl]urea
CID 10827210
(E)-3-[5-[[benzyl(propyl)amino]methyl]furan-2-yl]-N-hydroxyprop-2-enamide
CID 71769926
N-[(4-methylphenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide
CID 164851909
Benzyl(methyl)[(5-methylfuran-2-yl)methyl]amine
CID 782822
1-(Furan-2-ylmethyl)-3-(2-(4-(prop-1-en-2-yl)phenyl)propan-2-yl)urea
CID 657494
N-(2-furylmethyl)-3-(4-isopropylphenyl)acrylamide
CID 844403
3-(4-tert-butylphenyl)-N-(2-furylmethyl)acrylamide
CID 903258
4-tert-butyl-N-(4-fluorobenzyl)-N-(furan-2-ylmethyl)benzamide
CID 1060597
1-Benzyl-1-furan-2-ylmethyl-3-[1-(4-isopropenyl-phenyl)-1-methyl-ethyl]-urea
CID 1075214
N-benzyl-N-(2-furylmethyl)-N'-[1-(3-isopropenylphenyl)-1-methylethyl]urea
CID 1361234

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[5-[[(4-phenylphenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[5-[[(4-phenylphenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]prop-2-enamide (CID 71770195) is (E)-N-hydroxy-3-[5-[[(4-phenylphenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[5-[[(4-phenylphenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[5-[[(4-phenylphenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]prop-2-enamide is CC(C)N(Cc1ccc(-c2ccccc2)cc1)Cc1ccc(/C=C/C(=O)NO)o1.
What is the InChIKey of (E)-N-hydroxy-3-[5-[[(4-phenylphenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]prop-2-enamide?
The InChIKey is ZPKDKHUWTQTDNX-CCEZHUSRSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-18(2)26(17-23-13-12-22(29-23)14-15-24(27)25-28)16-19-8-10-21(11-9-19)20-6-4-3-5-7-20/h3-15,18,28H,16-17H2,1-2H3,(H,25,27)/b15-14+.
What are the key properties of (E)-N-hydroxy-3-[5-[[(4-phenylphenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]prop-2-enamide?
(E)-N-hydroxy-3-[5-[[(4-phenylphenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]prop-2-enamide has a molecular weight of 390.48 g/mol, XLogP of 4.88, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[5-[[(4-phenylphenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]prop-2-enamide is sourced from PubChem (CID 71770195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).