N-[(Z)-1-(furan-2-yl)-3-oxo-3-[3-(4-propan-2-yloxyphenyl)propylamino]prop-1-en-2-yl]-4-methylbenzamide

C27H30N2O4 — CID 100618369

IUPACN-[(Z)-1-(furan-2-yl)-3-oxo-3-[3-(4-propan-2-yloxyphenyl)propylamino]prop-1-en-2-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCCc2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C27H30N2O4/c1-19(2)33-23-14-10-21(11-15-23)6-4-16-28-27(31)25(18-24-7-5-17-32-24)29-26(30)22-12-8-20(3)9-13-22/h5,7-15,17-19H,4,6,16H2,1-3H3,(H,28,31)(H,29,30)/b25-18-
InChIKeyVUXBXFSCAWIMOT-BWAHOGKJSA-N
MW446.55 g/mol
LogP4.90
Rot. Bonds10

About N-[(Z)-1-(furan-2-yl)-3-oxo-3-[3-(4-propan-2-yloxyphenyl)propylamino]prop-1-en-2-yl]-4-methylbenzamide

N-[(Z)-1-(furan-2-yl)-3-oxo-3-[3-(4-propan-2-yloxyphenyl)propylamino]prop-1-en-2-yl]-4-methylbenzamide (PubChem CID 100618369) has the molecular formula C27H30N2O4 and a molecular weight of 446.55 g/mol. Its IUPAC name is N-[(Z)-1-(furan-2-yl)-3-oxo-3-[3-(4-propan-2-yloxyphenyl)propylamino]prop-1-en-2-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(Z)-1-(furan-2-yl)-3-oxo-3-[3-(4-propan-2-yloxyphenyl)propylamino]prop-1-en-2-yl]-4-methylbenzamide
PubChem CID100618369
Molecular FormulaC27H30N2O4
Molecular Weight446.55 g/mol
Exact Mass446.22
IUPAC NameN-[(Z)-1-(furan-2-yl)-3-oxo-3-[3-(4-propan-2-yloxyphenyl)propylamino]prop-1-en-2-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCCc2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C27H30N2O4/c1-19(2)33-23-14-10-21(11-15-23)6-4-16-28-27(31)25(18-24-7-5-17-32-24)29-26(30)22-12-8-20(3)9-13-22/h5,7-15,17-19H,4,6,16H2,1-3H3,(H,28,31)(H,29,30)/b25-18-
InChIKeyVUXBXFSCAWIMOT-BWAHOGKJSA-N
XLogP4.90
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-1-(furan-2-yl)-3-oxo-3-(3-phenylpropylamino)prop-1-en-2-yl]-4-methylbenzamide
CID 100746621
N-[(Z)-1-(furan-2-yl)-3-oxo-3-(3-phenylpropylamino)prop-1-en-2-yl]benzamide
CID 86942198
N-[(Z)-1-(furan-2-yl)-3-[(4-methylphenyl)methylamino]-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 2131809
N-[(Z)-1-(furan-2-yl)-3-[(4-methylphenyl)methylamino]-3-oxoprop-1-en-2-yl]-4-methoxybenzamide
CID 100587585
N-[(Z)-1-(furan-2-yl)-3-(4-methylpentylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 86942346
4-methyl-N-[(Z)-3-oxo-3-[3-(3-propan-2-yloxyphenyl)propylamino]-1-thiophen-2-ylprop-1-en-2-yl]benzamide
CID 100761221
N-[(Z)-1-(furan-2-yl)-3-oxo-3-(2-phenylpropylamino)prop-1-en-2-yl]-4-methylbenzamide
CID 133218765
N-[1-(furan-2-yl)-3-(3-methoxypropylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 2873413
N-[(Z)-1-(furan-2-yl)-3-[1-(4-methylphenyl)ethylamino]-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 133210525
N-[(Z)-1-(furan-2-yl)-3-(4-methylanilino)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 40520569
N-[(E)-1-(furan-2-yl)-3-(2-methoxyethylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 2063946
N-[3-(2-hydroxyethylamino)-3-oxo-1-(4-propan-2-yloxyphenyl)prop-1-en-2-yl]-4-(4-phenylbutoxy)benzamide
CID 66812684

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(furan-2-yl)-3-oxo-3-[3-(4-propan-2-yloxyphenyl)propylamino]prop-1-en-2-yl]-4-methylbenzamide?
The IUPAC name of N-[(Z)-1-(furan-2-yl)-3-oxo-3-[3-(4-propan-2-yloxyphenyl)propylamino]prop-1-en-2-yl]-4-methylbenzamide (CID 100618369) is N-[(Z)-1-(furan-2-yl)-3-oxo-3-[3-(4-propan-2-yloxyphenyl)propylamino]prop-1-en-2-yl]-4-methylbenzamide.
What is the SMILES notation for N-[(Z)-1-(furan-2-yl)-3-oxo-3-[3-(4-propan-2-yloxyphenyl)propylamino]prop-1-en-2-yl]-4-methylbenzamide?
The canonical SMILES for N-[(Z)-1-(furan-2-yl)-3-oxo-3-[3-(4-propan-2-yloxyphenyl)propylamino]prop-1-en-2-yl]-4-methylbenzamide is Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCCc2ccc(OC(C)C)cc2)cc1.
What is the InChIKey of N-[(Z)-1-(furan-2-yl)-3-oxo-3-[3-(4-propan-2-yloxyphenyl)propylamino]prop-1-en-2-yl]-4-methylbenzamide?
The InChIKey is VUXBXFSCAWIMOT-BWAHOGKJSA-N. The full InChI is InChI=1S/C27H30N2O4/c1-19(2)33-23-14-10-21(11-15-23)6-4-16-28-27(31)25(18-24-7-5-17-32-24)29-26(30)22-12-8-20(3)9-13-22/h5,7-15,17-19H,4,6,16H2,1-3H3,(H,28,31)(H,29,30)/b25-18-.
What are the key properties of N-[(Z)-1-(furan-2-yl)-3-oxo-3-[3-(4-propan-2-yloxyphenyl)propylamino]prop-1-en-2-yl]-4-methylbenzamide?
N-[(Z)-1-(furan-2-yl)-3-oxo-3-[3-(4-propan-2-yloxyphenyl)propylamino]prop-1-en-2-yl]-4-methylbenzamide has a molecular weight of 446.55 g/mol, XLogP of 4.90, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(furan-2-yl)-3-oxo-3-[3-(4-propan-2-yloxyphenyl)propylamino]prop-1-en-2-yl]-4-methylbenzamide is sourced from PubChem (CID 100618369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).