N-[(Z)-3-[4-[(E)-3-(furan-2-yl)prop-2-enoyl]anilino]-1-(2-methylphenyl)-3-oxoprop-1-en-2-yl]benzamide

C30H24N2O4 — CID 23094522

IUPACN-[(Z)-3-[4-[(E)-3-(furan-2-yl)prop-2-enoyl]anilino]-1-(2-methylphenyl)-3-oxoprop-1-en-2-yl]benzamide
SMILESCc1ccccc1/C=C(\NC(=O)c1ccccc1)C(=O)Nc1ccc(C(=O)/C=C/c2ccco2)cc1
InChIInChI=1S/C30H24N2O4/c1-21-8-5-6-11-24(21)20-27(32-29(34)23-9-3-2-4-10-23)30(35)31-25-15-13-22(14-16-25)28(33)18-17-26-12-7-19-36-26/h2-20H,1H3,(H,31,35)(H,32,34)/b18-17+,27-20-
InChIKeyLWJOFVYXUIABKF-RSXYPYOYSA-N
MW476.53 g/mol
LogP5.89
Rot. Bonds8

About N-[(Z)-3-[4-[(E)-3-(furan-2-yl)prop-2-enoyl]anilino]-1-(2-methylphenyl)-3-oxoprop-1-en-2-yl]benzamide

N-[(Z)-3-[4-[(E)-3-(furan-2-yl)prop-2-enoyl]anilino]-1-(2-methylphenyl)-3-oxoprop-1-en-2-yl]benzamide (PubChem CID 23094522) has the molecular formula C30H24N2O4 and a molecular weight of 476.53 g/mol. Its IUPAC name is N-[(Z)-3-[4-[(E)-3-(furan-2-yl)prop-2-enoyl]anilino]-1-(2-methylphenyl)-3-oxoprop-1-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[(Z)-3-[4-[(E)-3-(furan-2-yl)prop-2-enoyl]anilino]-1-(2-methylphenyl)-3-oxoprop-1-en-2-yl]benzamide
PubChem CID23094522
Molecular FormulaC30H24N2O4
Molecular Weight476.53 g/mol
Exact Mass476.17
IUPAC NameN-[(Z)-3-[4-[(E)-3-(furan-2-yl)prop-2-enoyl]anilino]-1-(2-methylphenyl)-3-oxoprop-1-en-2-yl]benzamide
SMILESCc1ccccc1/C=C(\NC(=O)c1ccccc1)C(=O)Nc1ccc(C(=O)/C=C/c2ccco2)cc1
InChIInChI=1S/C30H24N2O4/c1-21-8-5-6-11-24(21)20-27(32-29(34)23-9-3-2-4-10-23)30(35)31-25-15-13-22(14-16-25)28(33)18-17-26-12-7-19-36-26/h2-20H,1H3,(H,31,35)(H,32,34)/b18-17+,27-20-
InChIKeyLWJOFVYXUIABKF-RSXYPYOYSA-N
XLogP5.89
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.53
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-3-[4-[(E)-3-(furan-2-yl)prop-2-enoyl]anilino]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
CID 22787878
N-[(Z)-3-[4-[(E)-3-(furan-2-yl)prop-2-enoyl]anilino]-3-oxo-1-(3,4,5-trimethoxyphenyl)prop-1-en-2-yl]benzamide
CID 23094670
N-[(Z)-3-[4-[(E)-3-(2,3-dichlorophenyl)prop-2-enoyl]anilino]-1-(2-methylphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 23094507
N-[(Z)-3-[4-[(E)-3-(4-fluorophenyl)prop-2-enoyl]anilino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 22787618
N-[(Z)-3-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]anilino]-1-(2-methylphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 23094515
N-[(Z)-3-[4-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]anilino]-1-(2-methylphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 23094519
N-[(Z)-1-(2,6-dichlorophenyl)-3-[4-[(E)-3-(2-methylphenyl)prop-2-enoyl]anilino]-3-oxoprop-1-en-2-yl]benzamide
CID 22787146
N-[(Z)-3-[4-[(E)-3-(2-methylphenyl)prop-2-enoyl]anilino]-3-oxo-1-(2,4,5-trimethoxyphenyl)prop-1-en-2-yl]benzamide
CID 23094641
N-[(Z)-1-(furan-2-yl)-3-(4-methylanilino)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 40520569
N-[(Z)-1-(4-methoxyphenyl)-3-[4-[(E)-3-(2-methylphenyl)prop-2-enoyl]anilino]-3-oxoprop-1-en-2-yl]benzamide
CID 22787368
N-[1-(furan-2-yl)-3-(4-hydroxyanilino)-3-oxoprop-1-en-2-yl]benzamide
CID 828229
4-[[2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]-N-propan-2-ylbenzamide
CID 103599554

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-[4-[(E)-3-(furan-2-yl)prop-2-enoyl]anilino]-1-(2-methylphenyl)-3-oxoprop-1-en-2-yl]benzamide?
The IUPAC name of N-[(Z)-3-[4-[(E)-3-(furan-2-yl)prop-2-enoyl]anilino]-1-(2-methylphenyl)-3-oxoprop-1-en-2-yl]benzamide (CID 23094522) is N-[(Z)-3-[4-[(E)-3-(furan-2-yl)prop-2-enoyl]anilino]-1-(2-methylphenyl)-3-oxoprop-1-en-2-yl]benzamide.
What is the SMILES notation for N-[(Z)-3-[4-[(E)-3-(furan-2-yl)prop-2-enoyl]anilino]-1-(2-methylphenyl)-3-oxoprop-1-en-2-yl]benzamide?
The canonical SMILES for N-[(Z)-3-[4-[(E)-3-(furan-2-yl)prop-2-enoyl]anilino]-1-(2-methylphenyl)-3-oxoprop-1-en-2-yl]benzamide is Cc1ccccc1/C=C(\NC(=O)c1ccccc1)C(=O)Nc1ccc(C(=O)/C=C/c2ccco2)cc1.
What is the InChIKey of N-[(Z)-3-[4-[(E)-3-(furan-2-yl)prop-2-enoyl]anilino]-1-(2-methylphenyl)-3-oxoprop-1-en-2-yl]benzamide?
The InChIKey is LWJOFVYXUIABKF-RSXYPYOYSA-N. The full InChI is InChI=1S/C30H24N2O4/c1-21-8-5-6-11-24(21)20-27(32-29(34)23-9-3-2-4-10-23)30(35)31-25-15-13-22(14-16-25)28(33)18-17-26-12-7-19-36-26/h2-20H,1H3,(H,31,35)(H,32,34)/b18-17+,27-20-.
What are the key properties of N-[(Z)-3-[4-[(E)-3-(furan-2-yl)prop-2-enoyl]anilino]-1-(2-methylphenyl)-3-oxoprop-1-en-2-yl]benzamide?
N-[(Z)-3-[4-[(E)-3-(furan-2-yl)prop-2-enoyl]anilino]-1-(2-methylphenyl)-3-oxoprop-1-en-2-yl]benzamide has a molecular weight of 476.53 g/mol, XLogP of 5.89, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-[4-[(E)-3-(furan-2-yl)prop-2-enoyl]anilino]-1-(2-methylphenyl)-3-oxoprop-1-en-2-yl]benzamide is sourced from PubChem (CID 23094522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).