N-[(Z)-3-(4-butylanilino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide

C24H24N2O3 — CID 100500958

IUPACN-[(Z)-3-(4-butylanilino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
SMILESCCCCc1ccc(NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)cc1
InChIInChI=1S/C24H24N2O3/c1-2-3-8-18-12-14-20(15-13-18)25-24(28)22(17-21-11-7-16-29-21)26-23(27)19-9-5-4-6-10-19/h4-7,9-17H,2-3,8H2,1H3,(H,25,28)(H,26,27)/b22-17-
InChIKeyXFPYIHPNLUYDBU-XLNRJJMWSA-N
MW388.47 g/mol
LogP5.03
Rot. Bonds8

About N-[(Z)-3-(4-butylanilino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide

N-[(Z)-3-(4-butylanilino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide (PubChem CID 100500958) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[(Z)-3-(4-butylanilino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[(Z)-3-(4-butylanilino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
PubChem CID100500958
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC NameN-[(Z)-3-(4-butylanilino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
SMILESCCCCc1ccc(NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)cc1
InChIInChI=1S/C24H24N2O3/c1-2-3-8-18-12-14-20(15-13-18)25-24(28)22(17-21-11-7-16-29-21)26-23(27)19-9-5-4-6-10-19/h4-7,9-17H,2-3,8H2,1H3,(H,25,28)(H,26,27)/b22-17-
InChIKeyXFPYIHPNLUYDBU-XLNRJJMWSA-N
XLogP5.03
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.47
LogP ≤ 55.03
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

N-[1-(furan-2-yl)-3-(4-hydroxyanilino)-3-oxoprop-1-en-2-yl]benzamide
CID 828229
N-[(Z)-3-(4-chloroanilino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 86942191
4-[[2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]-N-propan-2-ylbenzamide
CID 103599554
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-methylanilino)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 40520569
N-[(Z)-3-(4-ethoxy-3-methoxyanilino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 86942231
N-[3-[benzyl(butyl)amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 5226486
N-[3-[4-[9-[4-[[2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]phenyl]fluoren-9-yl]anilino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 71833282
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-(pentan-2-ylamino)prop-1-en-2-yl]benzamide
CID 133201727
N-[(Z)-1-(furan-2-yl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]benzamide
CID 5305148
N-[(E)-3-(4-chloroanilino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 2274338

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-(4-butylanilino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide?
The IUPAC name of N-[(Z)-3-(4-butylanilino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide (CID 100500958) is N-[(Z)-3-(4-butylanilino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide.
What is the SMILES notation for N-[(Z)-3-(4-butylanilino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide?
The canonical SMILES for N-[(Z)-3-(4-butylanilino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide is CCCCc1ccc(NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[(Z)-3-(4-butylanilino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide?
The InChIKey is XFPYIHPNLUYDBU-XLNRJJMWSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-2-3-8-18-12-14-20(15-13-18)25-24(28)22(17-21-11-7-16-29-21)26-23(27)19-9-5-4-6-10-19/h4-7,9-17H,2-3,8H2,1H3,(H,25,28)(H,26,27)/b22-17-.
What are the key properties of N-[(Z)-3-(4-butylanilino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide?
N-[(Z)-3-(4-butylanilino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide has a molecular weight of 388.47 g/mol, XLogP of 5.03, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-(4-butylanilino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide is sourced from PubChem (CID 100500958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).