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

C19H25N3O5 — CID 3716629

IUPACmethyl 3-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-4-methoxy-1H-indole-2-carboxylate
SMILESCOC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)CN1CC(C)OC(C)C1
InChIInChI=1S/C19H25N3O5/c1-11-8-22(9-12(2)27-11)10-15(23)21-17-16-13(6-5-7-14(16)25-3)20-18(17)19(24)26-4/h5-7,11-12,20H,8-10H2,1-4H3,(H,21,23)
InChIKeyNMGGUUNLKIZIRH-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.01
Rot. Bonds5

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

methyl 3-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-4-methoxy-1H-indole-2-carboxylate (PubChem CID 3716629) has the molecular formula C19H25N3O5 and a molecular weight of 375.43 g/mol. Its IUPAC name is methyl 3-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-4-methoxy-1H-indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-4-methoxy-1H-indole-2-carboxylate
PubChem CID3716629
Molecular FormulaC19H25N3O5
Molecular Weight375.43 g/mol
Exact Mass375.18
IUPAC Namemethyl 3-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-4-methoxy-1H-indole-2-carboxylate
SMILESCOC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)CN1CC(C)OC(C)C1
InChIInChI=1S/C19H25N3O5/c1-11-8-22(9-12(2)27-11)10-15(23)21-17-16-13(6-5-7-14(16)25-3)20-18(17)19(24)26-4/h5-7,11-12,20H,8-10H2,1-4H3,(H,21,23)
InChIKeyNMGGUUNLKIZIRH-UHFFFAOYSA-N
XLogP2.01
TPSA92.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-4-methoxy-1H-indole-2-carboxylate?
The IUPAC name of methyl 3-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-4-methoxy-1H-indole-2-carboxylate (CID 3716629) is methyl 3-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-4-methoxy-1H-indole-2-carboxylate.
What is the SMILES notation for methyl 3-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-4-methoxy-1H-indole-2-carboxylate?
The canonical SMILES for methyl 3-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-4-methoxy-1H-indole-2-carboxylate is COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)CN1CC(C)OC(C)C1.
What is the InChIKey of methyl 3-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-4-methoxy-1H-indole-2-carboxylate?
The InChIKey is NMGGUUNLKIZIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5/c1-11-8-22(9-12(2)27-11)10-15(23)21-17-16-13(6-5-7-14(16)25-3)20-18(17)19(24)26-4/h5-7,11-12,20H,8-10H2,1-4H3,(H,21,23).
What are the key properties of methyl 3-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-4-methoxy-1H-indole-2-carboxylate?
methyl 3-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-4-methoxy-1H-indole-2-carboxylate has a molecular weight of 375.43 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-4-methoxy-1H-indole-2-carboxylate is sourced from PubChem (CID 3716629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).