[(2R)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 1-methylindole-3-carboxylate

C23H25N3O4 — CID 7779372

IUPAC[(2R)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 1-methylindole-3-carboxylate
SMILESC[C@@H](OC(=O)c1cn(C)c2ccccc12)C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C23H25N3O4/c1-16(30-23(28)20-15-25(2)21-6-4-3-5-19(20)21)22(27)24-17-7-9-18(10-8-17)26-11-13-29-14-12-26/h3-10,15-16H,11-14H2,1-2H3,(H,24,27)/t16-/m1/s1
InChIKeySOIFJBQYQBGMRW-MRXNPFEDSA-N
MW407.47 g/mol
LogP3.20
Rot. Bonds5

About [(2R)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 1-methylindole-3-carboxylate

[(2R)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 1-methylindole-3-carboxylate (PubChem CID 7779372) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is [(2R)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 1-methylindole-3-carboxylate.

Molecular Properties

Compound Name[(2R)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 1-methylindole-3-carboxylate
PubChem CID7779372
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name[(2R)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 1-methylindole-3-carboxylate
SMILESC[C@@H](OC(=O)c1cn(C)c2ccccc12)C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C23H25N3O4/c1-16(30-23(28)20-15-25(2)21-6-4-3-5-19(20)21)22(27)24-17-7-9-18(10-8-17)26-11-13-29-14-12-26/h3-10,15-16H,11-14H2,1-2H3,(H,24,27)/t16-/m1/s1
InChIKeySOIFJBQYQBGMRW-MRXNPFEDSA-N
XLogP3.20
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze [(2R)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 1-methylindole-3-carboxylate with MolForge

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Related Compounds

[1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 2-chlorobenzoate
CID 55318916
[(2R)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
CID 7374502
[(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 1-methylindole-3-carboxylate
CID 8816900
[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 1,3-diphenylpyrazole-4-carboxylate
CID 26057235
[1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 2,6-dimethoxybenzoate
CID 42974506
[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 3-hydroxybenzoate
CID 7378633
[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate
CID 7504474
[(2R)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 3,5-dimethylbenzoate
CID 7261537
[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 3-acetamidobenzoate
CID 7376547
[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 1-oxidopyridin-1-ium-4-carboxylate
CID 7753036
[(2R)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 2,4,6-trimethylbenzoate
CID 29324450
[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 2,4,6-trimethylbenzoate
CID 29324452

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 1-methylindole-3-carboxylate?
The IUPAC name of [(2R)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 1-methylindole-3-carboxylate (CID 7779372) is [(2R)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 1-methylindole-3-carboxylate.
What is the SMILES notation for [(2R)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 1-methylindole-3-carboxylate?
The canonical SMILES for [(2R)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 1-methylindole-3-carboxylate is C[C@@H](OC(=O)c1cn(C)c2ccccc12)C(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of [(2R)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 1-methylindole-3-carboxylate?
The InChIKey is SOIFJBQYQBGMRW-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-16(30-23(28)20-15-25(2)21-6-4-3-5-19(20)21)22(27)24-17-7-9-18(10-8-17)26-11-13-29-14-12-26/h3-10,15-16H,11-14H2,1-2H3,(H,24,27)/t16-/m1/s1.
What are the key properties of [(2R)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 1-methylindole-3-carboxylate?
[(2R)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 1-methylindole-3-carboxylate has a molecular weight of 407.47 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 1-methylindole-3-carboxylate is sourced from PubChem (CID 7779372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).