N-methyl-4-[(E)-3-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)anilino]-3-oxoprop-1-enyl]benzamide

C23H24N4O3 — CID 56568362

IUPACN-methyl-4-[(E)-3-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)anilino]-3-oxoprop-1-enyl]benzamide
SMILESCNC(=O)c1ccc(/C=C/C(=O)Nc2c(C)cccc2-c2nc(C(C)C)no2)cc1
InChIInChI=1S/C23H24N4O3/c1-14(2)21-26-23(30-27-21)18-7-5-6-15(3)20(18)25-19(28)13-10-16-8-11-17(12-9-16)22(29)24-4/h5-14H,1-4H3,(H,24,29)(H,25,28)/b13-10+
InChIKeyNGRHLGDNIOMGHI-JLHYYAGUSA-N
MW404.47 g/mol
LogP4.18
Rot. Bonds6

About N-methyl-4-[(E)-3-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)anilino]-3-oxoprop-1-enyl]benzamide

N-methyl-4-[(E)-3-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)anilino]-3-oxoprop-1-enyl]benzamide (PubChem CID 56568362) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-methyl-4-[(E)-3-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)anilino]-3-oxoprop-1-enyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[(E)-3-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)anilino]-3-oxoprop-1-enyl]benzamide
PubChem CID56568362
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC NameN-methyl-4-[(E)-3-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)anilino]-3-oxoprop-1-enyl]benzamide
SMILESCNC(=O)c1ccc(/C=C/C(=O)Nc2c(C)cccc2-c2nc(C(C)C)no2)cc1
InChIInChI=1S/C23H24N4O3/c1-14(2)21-26-23(30-27-21)18-7-5-6-15(3)20(18)25-19(28)13-10-16-8-11-17(12-9-16)22(29)24-4/h5-14H,1-4H3,(H,24,29)(H,25,28)/b13-10+
InChIKeyNGRHLGDNIOMGHI-JLHYYAGUSA-N
XLogP4.18
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-N-tert-butyl-1-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzene-1,4-dicarboxamide
CID 56568237
tert-butyl N-[4-[[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]carbamoyl]phenyl]carbamate
CID 56568370
4-[(E)-3-(2,3-dimethylanilino)-3-oxoprop-1-enyl]-N-methylbenzamide
CID 134061980
(E)-N-(2-methyl-6-propan-2-ylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 1352164
3-(4-bromophenyl)-N-(2-methyl-6-propan-2-ylphenyl)prop-2-enamide
CID 1001648
N-methyl-4-[(E)-3-[1-(2-methylphenyl)ethylamino]-3-oxoprop-1-enyl]benzamide
CID 134062005
4-chloro-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 73254044
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
CID 56568465
1-tert-butyl-5-cyclopropyl-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]pyrazole-3-carboxamide
CID 56568236
N-methyl-4-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]benzamide
CID 9164572
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
CID 56568562
2-chloro-4-fluoro-N-[3-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)anilino]-3-oxopropyl]benzamide
CID 56568469

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(E)-3-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)anilino]-3-oxoprop-1-enyl]benzamide?
The IUPAC name of N-methyl-4-[(E)-3-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)anilino]-3-oxoprop-1-enyl]benzamide (CID 56568362) is N-methyl-4-[(E)-3-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)anilino]-3-oxoprop-1-enyl]benzamide.
What is the SMILES notation for N-methyl-4-[(E)-3-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)anilino]-3-oxoprop-1-enyl]benzamide?
The canonical SMILES for N-methyl-4-[(E)-3-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)anilino]-3-oxoprop-1-enyl]benzamide is CNC(=O)c1ccc(/C=C/C(=O)Nc2c(C)cccc2-c2nc(C(C)C)no2)cc1.
What is the InChIKey of N-methyl-4-[(E)-3-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)anilino]-3-oxoprop-1-enyl]benzamide?
The InChIKey is NGRHLGDNIOMGHI-JLHYYAGUSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-14(2)21-26-23(30-27-21)18-7-5-6-15(3)20(18)25-19(28)13-10-16-8-11-17(12-9-16)22(29)24-4/h5-14H,1-4H3,(H,24,29)(H,25,28)/b13-10+.
What are the key properties of N-methyl-4-[(E)-3-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)anilino]-3-oxoprop-1-enyl]benzamide?
N-methyl-4-[(E)-3-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)anilino]-3-oxoprop-1-enyl]benzamide has a molecular weight of 404.47 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(E)-3-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)anilino]-3-oxoprop-1-enyl]benzamide is sourced from PubChem (CID 56568362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).