(E)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide

C24H25NO3 — CID 28677797

IUPAC(E)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCc1ccc(-c2ccc(CO)o2)cc1NC(=O)/C=C/c1ccc(C(C)C)cc1
InChIInChI=1S/C24H25NO3/c1-16(2)19-9-5-18(6-10-19)7-13-24(27)25-22-14-20(8-4-17(22)3)23-12-11-21(15-26)28-23/h4-14,16,26H,15H2,1-3H3,(H,25,27)/b13-7+
InChIKeyXTARQBIKUIAQPL-NTUHNPAUSA-N
MW375.47 g/mol
LogP5.52
Rot. Bonds6

About (E)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide

(E)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide (PubChem CID 28677797) has the molecular formula C24H25NO3 and a molecular weight of 375.47 g/mol. Its IUPAC name is (E)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
PubChem CID28677797
Molecular FormulaC24H25NO3
Molecular Weight375.47 g/mol
Exact Mass375.18
IUPAC Name(E)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCc1ccc(-c2ccc(CO)o2)cc1NC(=O)/C=C/c1ccc(C(C)C)cc1
InChIInChI=1S/C24H25NO3/c1-16(2)19-9-5-18(6-10-19)7-13-24(27)25-22-14-20(8-4-17(22)3)23-12-11-21(15-26)28-23/h4-14,16,26H,15H2,1-3H3,(H,25,27)/b13-7+
InChIKeyXTARQBIKUIAQPL-NTUHNPAUSA-N
XLogP5.52
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.47
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 28677857
(E)-N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 6241853
N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-2,2-dimethylpropanamide
CID 28666072
N-(2-methylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 4667675
(E)-N-(4-iodo-2,5-dimethylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 22777167
(E)-3-(4-chlorophenyl)-N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]prop-2-enamide
CID 28677694
N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-3-methylbenzamide
CID 28666706
(E)-3-(4-chlorophenyl)-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]prop-2-enamide
CID 28677676
5-(3-chlorophenyl)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]furan-2-carboxamide
CID 28670293
(E)-N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-phenylprop-2-enamide
CID 28677648
4-bromo-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]benzamide
CID 28667730
2-chloro-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-5-iodobenzamide
CID 28668065

Frequently Asked Questions

What is the IUPAC name of (E)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide (CID 28677797) is (E)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide is Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)/C=C/c1ccc(C(C)C)cc1.
What is the InChIKey of (E)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide?
The InChIKey is XTARQBIKUIAQPL-NTUHNPAUSA-N. The full InChI is InChI=1S/C24H25NO3/c1-16(2)19-9-5-18(6-10-19)7-13-24(27)25-22-14-20(8-4-17(22)3)23-12-11-21(15-26)28-23/h4-14,16,26H,15H2,1-3H3,(H,25,27)/b13-7+.
What are the key properties of (E)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide?
(E)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide has a molecular weight of 375.47 g/mol, XLogP of 5.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide is sourced from PubChem (CID 28677797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).