N-[3-[2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propoxy]phenyl]acetamide

C22H24N2O3 — CID 3936401

IUPACN-[3-[2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propoxy]phenyl]acetamide
SMILESCC(=O)Nc1cccc(OCC(=O)C=C2N(C)c3ccccc3C2(C)C)c1
InChIInChI=1S/C22H24N2O3/c1-15(25)23-16-8-7-9-18(12-16)27-14-17(26)13-21-22(2,3)19-10-5-6-11-20(19)24(21)4/h5-13H,14H2,1-4H3,(H,23,25)
InChIKeyAZKLAVZPMHYNOT-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.90
Rot. Bonds5

About N-[3-[2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propoxy]phenyl]acetamide

N-[3-[2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propoxy]phenyl]acetamide (PubChem CID 3936401) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[3-[2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propoxy]phenyl]acetamide
PubChem CID3936401
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC NameN-[3-[2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propoxy]phenyl]acetamide
SMILESCC(=O)Nc1cccc(OCC(=O)C=C2N(C)c3ccccc3C2(C)C)c1
InChIInChI=1S/C22H24N2O3/c1-15(25)23-16-8-7-9-18(12-16)27-14-17(26)13-21-22(2,3)19-10-5-6-11-20(19)24(21)4/h5-13H,14H2,1-4H3,(H,23,25)
InChIKeyAZKLAVZPMHYNOT-UHFFFAOYSA-N
XLogP3.90
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1Z)-4-(3-methylphenoxy)-1-(1,3,3-trimethylindol-2-ylidene)butan-2-one
CID 2402652
1-quinolin-8-yloxy-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one
CID 3467330
[(3E)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl] 4-(2-amino-2-oxoethoxy)benzoate
CID 92863328
ethyl 2-(1,3,3-trimethylindol-2-ylidene)acetate
CID 3275142
[(3E)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl] 2-iodobenzoate
CID 2425199
[(3Z)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl] 2-(2,6-dichlorophenyl)sulfanylacetate
CID 39906022
[2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl] 4-(trifluoromethoxy)benzoate
CID 5007845
[2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl] 3-methyl-1,2-oxazole-5-carboxylate
CID 7603091
[2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl] 3-(4-methoxyphenyl)prop-2-enoate
CID 3359940
[2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl] 2-(2,5-dimethylphenyl)sulfanylacetate
CID 23796798
[(3Z)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl] 2-thiophen-2-ylacetate
CID 2352811
[2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl] 4-methyl-3-nitrobenzoate
CID 4653174

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propoxy]phenyl]acetamide?
The IUPAC name of N-[3-[2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propoxy]phenyl]acetamide (CID 3936401) is N-[3-[2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propoxy]phenyl]acetamide.
What is the SMILES notation for N-[3-[2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propoxy]phenyl]acetamide?
The canonical SMILES for N-[3-[2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propoxy]phenyl]acetamide is CC(=O)Nc1cccc(OCC(=O)C=C2N(C)c3ccccc3C2(C)C)c1.
What is the InChIKey of N-[3-[2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propoxy]phenyl]acetamide?
The InChIKey is AZKLAVZPMHYNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-15(25)23-16-8-7-9-18(12-16)27-14-17(26)13-21-22(2,3)19-10-5-6-11-20(19)24(21)4/h5-13H,14H2,1-4H3,(H,23,25).
What are the key properties of N-[3-[2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propoxy]phenyl]acetamide?
N-[3-[2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propoxy]phenyl]acetamide has a molecular weight of 364.45 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propoxy]phenyl]acetamide is sourced from PubChem (CID 3936401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).