methyl 3-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetyl]amino]-4-methyl-1H-indole-2-carboxylate

C19H25N3O4 — CID 7714437

IUPACmethyl 3-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetyl]amino]-4-methyl-1H-indole-2-carboxylate
SMILESCOC(=O)c1[nH]c2cccc(C)c2c1NC(=O)CN1C[C@H](C)O[C@@H](C)C1
InChIInChI=1S/C19H25N3O4/c1-11-6-5-7-14-16(11)17(18(20-14)19(24)25-4)21-15(23)10-22-8-12(2)26-13(3)9-22/h5-7,12-13,20H,8-10H2,1-4H3,(H,21,23)/t12-,13-/m0/s1
InChIKeyVTTDXXOGGVIDDA-STQMWFEESA-N
MW359.43 g/mol
LogP2.31
Rot. Bonds4

About methyl 3-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetyl]amino]-4-methyl-1H-indole-2-carboxylate

methyl 3-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetyl]amino]-4-methyl-1H-indole-2-carboxylate (PubChem CID 7714437) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is methyl 3-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetyl]amino]-4-methyl-1H-indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetyl]amino]-4-methyl-1H-indole-2-carboxylate
PubChem CID7714437
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Namemethyl 3-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetyl]amino]-4-methyl-1H-indole-2-carboxylate
SMILESCOC(=O)c1[nH]c2cccc(C)c2c1NC(=O)CN1C[C@H](C)O[C@@H](C)C1
InChIInChI=1S/C19H25N3O4/c1-11-6-5-7-14-16(11)17(18(20-14)19(24)25-4)21-15(23)10-22-8-12(2)26-13(3)9-22/h5-7,12-13,20H,8-10H2,1-4H3,(H,21,23)/t12-,13-/m0/s1
InChIKeyVTTDXXOGGVIDDA-STQMWFEESA-N
XLogP2.31
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 3-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetyl]amino]-4-methyl-1H-indole-2-carboxylate with MolForge

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Related Compounds

methyl 4-chloro-3-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-1H-indole-2-carboxylate
CID 3315101
methyl 4-methyl-3-[[2-(2-methylpiperidin-1-yl)acetyl]amino]-1H-indole-2-carboxylate
CID 4663468
methyl 3-[[2-[4-(2-fluorophenyl)piperazin-1-yl]acetyl]amino]-4-methyl-1H-indole-2-carboxylate
CID 2042049
methyl 4-methoxy-3-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-1H-indole-2-carboxylate
CID 2004173
methyl 3-[[2-(4-ethylpiperazine-1,4-diium-1-yl)acetyl]amino]-4-methyl-1H-indole-2-carboxylate
CID 2048187
methyl 3-[[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetyl]amino]-4-methylbenzoate
CID 8898920
2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(2-methyl-6-nitrophenyl)acetamide
CID 8900115
methyl 4-chloro-3-[[2-[(3S)-3-ethoxycarbonylpiperidin-1-yl]acetyl]amino]-1H-indole-2-carboxylate
CID 7562282
2-[4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 8917312
2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 2653141
methyl 3-[[2-[4-(2,4-dimethylphenyl)piperazin-1-yl]acetyl]amino]-4-methoxy-1H-indole-2-carboxylate
CID 2020591
methyl 3-[[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]acetyl]amino]-4-methoxy-1H-indole-2-carboxylate
CID 2024769

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetyl]amino]-4-methyl-1H-indole-2-carboxylate?
The IUPAC name of methyl 3-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetyl]amino]-4-methyl-1H-indole-2-carboxylate (CID 7714437) is methyl 3-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetyl]amino]-4-methyl-1H-indole-2-carboxylate.
What is the SMILES notation for methyl 3-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetyl]amino]-4-methyl-1H-indole-2-carboxylate?
The canonical SMILES for methyl 3-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetyl]amino]-4-methyl-1H-indole-2-carboxylate is COC(=O)c1[nH]c2cccc(C)c2c1NC(=O)CN1C[C@H](C)O[C@@H](C)C1.
What is the InChIKey of methyl 3-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetyl]amino]-4-methyl-1H-indole-2-carboxylate?
The InChIKey is VTTDXXOGGVIDDA-STQMWFEESA-N. The full InChI is InChI=1S/C19H25N3O4/c1-11-6-5-7-14-16(11)17(18(20-14)19(24)25-4)21-15(23)10-22-8-12(2)26-13(3)9-22/h5-7,12-13,20H,8-10H2,1-4H3,(H,21,23)/t12-,13-/m0/s1.
What are the key properties of methyl 3-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetyl]amino]-4-methyl-1H-indole-2-carboxylate?
methyl 3-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetyl]amino]-4-methyl-1H-indole-2-carboxylate has a molecular weight of 359.43 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetyl]amino]-4-methyl-1H-indole-2-carboxylate is sourced from PubChem (CID 7714437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).