(E)-N-[4-(1-adamantyl)phenyl]-3-(furan-2-yl)prop-2-enamide

C23H25NO2 — CID 7921396

IUPAC(E)-N-[4-(1-adamantyl)phenyl]-3-(furan-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C23H25NO2/c25-22(8-7-21-2-1-9-26-21)24-20-5-3-19(4-6-20)23-13-16-10-17(14-23)12-18(11-16)15-23/h1-9,16-18H,10-15H2,(H,24,25)/b8-7+
InChIKeyRNZYHRQIHAMPFS-BQYQJAHWSA-N
MW347.46 g/mol
LogP5.40
Rot. Bonds4

About (E)-N-[4-(1-adamantyl)phenyl]-3-(furan-2-yl)prop-2-enamide

(E)-N-[4-(1-adamantyl)phenyl]-3-(furan-2-yl)prop-2-enamide (PubChem CID 7921396) has the molecular formula C23H25NO2 and a molecular weight of 347.46 g/mol. Its IUPAC name is (E)-N-[4-(1-adamantyl)phenyl]-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(1-adamantyl)phenyl]-3-(furan-2-yl)prop-2-enamide
PubChem CID7921396
Molecular FormulaC23H25NO2
Molecular Weight347.46 g/mol
Exact Mass347.19
IUPAC Name(E)-N-[4-(1-adamantyl)phenyl]-3-(furan-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C23H25NO2/c25-22(8-7-21-2-1-9-26-21)24-20-5-3-19(4-6-20)23-13-16-10-17(14-23)12-18(11-16)15-23/h1-9,16-18H,10-15H2,(H,24,25)/b8-7+
InChIKeyRNZYHRQIHAMPFS-BQYQJAHWSA-N
XLogP5.40
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.46
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-N-[4-(1-adamantyl)phenyl]-3-(furan-2-yl)prop-2-enamide with MolForge

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Related Compounds

3-(furan-2-yl)-N-phenylprop-2-enamide
CID 578025
(Z)-3-(furan-2-yl)-N-[4-(propanoylamino)phenyl]prop-2-enamide
CID 2298592
methyl 4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzoate
CID 963838
(E)-N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-(furan-2-yl)prop-2-enamide
CID 954608
(E)-N-[4-[(dimethylamino)methyl]phenyl]-3-(furan-2-yl)prop-2-enamide
CID 37243408
(E)-N-[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-3-(furan-2-yl)prop-2-enamide
CID 7921854
1-[4-(1-adamantyl)phenyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 78874508
(E)-N-[4-(difluoromethylsulfonyl)phenyl]-3-(furan-2-yl)prop-2-enamide
CID 7942006
(E)-3-(furan-2-yl)-N-[4-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]phenyl]prop-2-enamide
CID 17050595
1-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-3-phenylurea
CID 695806
N-[[(1S)-1-(1-adamantyl)ethyl]carbamothioyl]-3-(furan-2-yl)prop-2-enamide
CID 7072055
(E)-3-(furan-2-yl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]prop-2-enamide
CID 66485469

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(1-adamantyl)phenyl]-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-[4-(1-adamantyl)phenyl]-3-(furan-2-yl)prop-2-enamide (CID 7921396) is (E)-N-[4-(1-adamantyl)phenyl]-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[4-(1-adamantyl)phenyl]-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[4-(1-adamantyl)phenyl]-3-(furan-2-yl)prop-2-enamide is O=C(/C=C/c1ccco1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of (E)-N-[4-(1-adamantyl)phenyl]-3-(furan-2-yl)prop-2-enamide?
The InChIKey is RNZYHRQIHAMPFS-BQYQJAHWSA-N. The full InChI is InChI=1S/C23H25NO2/c25-22(8-7-21-2-1-9-26-21)24-20-5-3-19(4-6-20)23-13-16-10-17(14-23)12-18(11-16)15-23/h1-9,16-18H,10-15H2,(H,24,25)/b8-7+.
What are the key properties of (E)-N-[4-(1-adamantyl)phenyl]-3-(furan-2-yl)prop-2-enamide?
(E)-N-[4-(1-adamantyl)phenyl]-3-(furan-2-yl)prop-2-enamide has a molecular weight of 347.46 g/mol, XLogP of 5.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(1-adamantyl)phenyl]-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 7921396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).