N-[4-[(Z)-(1-acetyl-3-oxoindol-2-ylidene)methyl]-2-methoxyphenyl]-2-morpholin-4-ylacetamide

C24H25N3O5 — CID 176510393

IUPACN-[4-[(Z)-(1-acetyl-3-oxoindol-2-ylidene)methyl]-2-methoxyphenyl]-2-morpholin-4-ylacetamide
SMILESCOc1cc(/C=C2/C(=O)c3ccccc3N2C(C)=O)ccc1NC(=O)CN1CCOCC1
InChIInChI=1S/C24H25N3O5/c1-16(28)27-20-6-4-3-5-18(20)24(30)21(27)13-17-7-8-19(22(14-17)31-2)25-23(29)15-26-9-11-32-12-10-26/h3-8,13-14H,9-12,15H2,1-2H3,(H,25,29)/b21-13-
InChIKeyMRTBFVVQMWUKEW-BKUYFWCQSA-N
MW435.48 g/mol
LogP2.56
Rot. Bonds5

About N-[4-[(Z)-(1-acetyl-3-oxoindol-2-ylidene)methyl]-2-methoxyphenyl]-2-morpholin-4-ylacetamide

N-[4-[(Z)-(1-acetyl-3-oxoindol-2-ylidene)methyl]-2-methoxyphenyl]-2-morpholin-4-ylacetamide (PubChem CID 176510393) has the molecular formula C24H25N3O5 and a molecular weight of 435.48 g/mol. Its IUPAC name is N-[4-[(Z)-(1-acetyl-3-oxoindol-2-ylidene)methyl]-2-methoxyphenyl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[4-[(Z)-(1-acetyl-3-oxoindol-2-ylidene)methyl]-2-methoxyphenyl]-2-morpholin-4-ylacetamide
PubChem CID176510393
Molecular FormulaC24H25N3O5
Molecular Weight435.48 g/mol
Exact Mass435.18
IUPAC NameN-[4-[(Z)-(1-acetyl-3-oxoindol-2-ylidene)methyl]-2-methoxyphenyl]-2-morpholin-4-ylacetamide
SMILESCOc1cc(/C=C2/C(=O)c3ccccc3N2C(C)=O)ccc1NC(=O)CN1CCOCC1
InChIInChI=1S/C24H25N3O5/c1-16(28)27-20-6-4-3-5-18(20)24(30)21(27)13-17-7-8-19(22(14-17)31-2)25-23(29)15-26-9-11-32-12-10-26/h3-8,13-14H,9-12,15H2,1-2H3,(H,25,29)/b21-13-
InChIKeyMRTBFVVQMWUKEW-BKUYFWCQSA-N
XLogP2.56
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-[(E)-(1-acetyl-3-oxoindol-2-ylidene)methyl]quinolin-6-yl]methyl]-2-morpholin-4-ylacetamide
CID 176732702
N-[3-methoxy-4-[(2-morpholin-4-ylacetyl)amino]phenyl]-3-(4-methoxyphenyl)-2-methylbenzamide
CID 155997760
N-(2,4-dimethoxyphenyl)-3-morpholin-4-ylpropanamide
CID 772656
N-(5-ethyl-2-methoxyphenyl)-2-morpholin-4-ylacetamide
CID 154733696
N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 135956316
N-[5-[(2-chlorophenyl)carbamoylamino]-2-methoxyphenyl]-2-morpholin-4-ylacetamide
CID 3568292
[2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 2357921
N-(2-methylphenyl)-2-morpholin-4-ylacetamide
CID 744983
N-(4,5-dimethoxy-2-nitrophenyl)-2-morpholin-4-ylacetamide
CID 110444205
N-[(Z)-(2-methoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 5426268
N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 24566664
2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 43039682

Frequently Asked Questions

What is the IUPAC name of N-[4-[(Z)-(1-acetyl-3-oxoindol-2-ylidene)methyl]-2-methoxyphenyl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[4-[(Z)-(1-acetyl-3-oxoindol-2-ylidene)methyl]-2-methoxyphenyl]-2-morpholin-4-ylacetamide (CID 176510393) is N-[4-[(Z)-(1-acetyl-3-oxoindol-2-ylidene)methyl]-2-methoxyphenyl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[4-[(Z)-(1-acetyl-3-oxoindol-2-ylidene)methyl]-2-methoxyphenyl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[4-[(Z)-(1-acetyl-3-oxoindol-2-ylidene)methyl]-2-methoxyphenyl]-2-morpholin-4-ylacetamide is COc1cc(/C=C2/C(=O)c3ccccc3N2C(C)=O)ccc1NC(=O)CN1CCOCC1.
What is the InChIKey of N-[4-[(Z)-(1-acetyl-3-oxoindol-2-ylidene)methyl]-2-methoxyphenyl]-2-morpholin-4-ylacetamide?
The InChIKey is MRTBFVVQMWUKEW-BKUYFWCQSA-N. The full InChI is InChI=1S/C24H25N3O5/c1-16(28)27-20-6-4-3-5-18(20)24(30)21(27)13-17-7-8-19(22(14-17)31-2)25-23(29)15-26-9-11-32-12-10-26/h3-8,13-14H,9-12,15H2,1-2H3,(H,25,29)/b21-13-.
What are the key properties of N-[4-[(Z)-(1-acetyl-3-oxoindol-2-ylidene)methyl]-2-methoxyphenyl]-2-morpholin-4-ylacetamide?
N-[4-[(Z)-(1-acetyl-3-oxoindol-2-ylidene)methyl]-2-methoxyphenyl]-2-morpholin-4-ylacetamide has a molecular weight of 435.48 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(Z)-(1-acetyl-3-oxoindol-2-ylidene)methyl]-2-methoxyphenyl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 176510393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).