3-methyl-N-[3-(3-methylanilino)-1-(5-methylfuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide

C23H22N2O3 — CID 1359320

IUPAC3-methyl-N-[3-(3-methylanilino)-1-(5-methylfuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide
SMILESCc1cccc(NC(=O)C(=Cc2ccc(C)o2)NC(=O)c2cccc(C)c2)c1
InChIInChI=1S/C23H22N2O3/c1-15-6-4-8-18(12-15)22(26)25-21(14-20-11-10-17(3)28-20)23(27)24-19-9-5-7-16(2)13-19/h4-14H,1-3H3,(H,24,27)(H,25,26)
InChIKeyDQEGHTNDGOMYTH-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.61
Rot. Bonds5

About 3-methyl-N-[3-(3-methylanilino)-1-(5-methylfuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide

3-methyl-N-[3-(3-methylanilino)-1-(5-methylfuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide (PubChem CID 1359320) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is 3-methyl-N-[3-(3-methylanilino)-1-(5-methylfuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[3-(3-methylanilino)-1-(5-methylfuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide
PubChem CID1359320
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name3-methyl-N-[3-(3-methylanilino)-1-(5-methylfuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide
SMILESCc1cccc(NC(=O)C(=Cc2ccc(C)o2)NC(=O)c2cccc(C)c2)c1
InChIInChI=1S/C23H22N2O3/c1-15-6-4-8-18(12-15)22(26)25-21(14-20-11-10-17(3)28-20)23(27)24-19-9-5-7-16(2)13-19/h4-14H,1-3H3,(H,24,27)(H,25,26)
InChIKeyDQEGHTNDGOMYTH-UHFFFAOYSA-N
XLogP4.61
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.61
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-[3-(4-methylanilino)-1-(5-methylfuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 5236171
N-[1-(4-methoxyphenyl)-3-(3-methylanilino)-3-oxoprop-1-en-2-yl]-3-methylbenzamide
CID 3797920
N-[1-(5-methylfuran-2-yl)-3-oxo-3-(3,4,5-trimethoxyanilino)prop-1-en-2-yl]benzamide
CID 2928877
2-chloro-N-[(Z)-3-(4-methylanilino)-1-(5-methylfuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 2241478
4-methyl-N-[3-(3-methylanilino)-1-naphthalen-1-yl-3-oxoprop-1-en-2-yl]benzamide
CID 4208761
N-[(E)-3-anilino-1-(5-nitrofuran-2-yl)-3-oxoprop-1-en-2-yl]-3-bromobenzamide
CID 5498000
N-[(E)-3-[3-[(3S)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylanilino]-1-(5-methylfuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 99679578
N-[(Z)-3-(cyclopropylamino)-1-(5-methylfuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 2176470
N-[(Z)-3-(3,4-dimethylanilino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]-3-methylbenzamide
CID 100691754
methyl 2-benzamido-3-(5-methylfuran-2-yl)prop-2-enoate
CID 2874468
N-[(E)-1-(4-bromophenyl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]-3-methylbenzamide
CID 2266330
N-[1-(4-bromophenyl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]-3-methylbenzamide
CID 1366810

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(3-methylanilino)-1-(5-methylfuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide?
The IUPAC name of 3-methyl-N-[3-(3-methylanilino)-1-(5-methylfuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide (CID 1359320) is 3-methyl-N-[3-(3-methylanilino)-1-(5-methylfuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide.
What is the SMILES notation for 3-methyl-N-[3-(3-methylanilino)-1-(5-methylfuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide?
The canonical SMILES for 3-methyl-N-[3-(3-methylanilino)-1-(5-methylfuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide is Cc1cccc(NC(=O)C(=Cc2ccc(C)o2)NC(=O)c2cccc(C)c2)c1.
What is the InChIKey of 3-methyl-N-[3-(3-methylanilino)-1-(5-methylfuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide?
The InChIKey is DQEGHTNDGOMYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-15-6-4-8-18(12-15)22(26)25-21(14-20-11-10-17(3)28-20)23(27)24-19-9-5-7-16(2)13-19/h4-14H,1-3H3,(H,24,27)(H,25,26).
What are the key properties of 3-methyl-N-[3-(3-methylanilino)-1-(5-methylfuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide?
3-methyl-N-[3-(3-methylanilino)-1-(5-methylfuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide has a molecular weight of 374.44 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(3-methylanilino)-1-(5-methylfuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide is sourced from PubChem (CID 1359320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).