4,6-dimethyl-N-[2-[(2-morpholin-4-ylacetyl)amino]phenyl]-1H-indole-2-carboxamide

C23H26N4O3 — CID 46976556

IUPAC4,6-dimethyl-N-[2-[(2-morpholin-4-ylacetyl)amino]phenyl]-1H-indole-2-carboxamide
SMILESCc1cc(C)c2cc(C(=O)Nc3ccccc3NC(=O)CN3CCOCC3)[nH]c2c1
InChIInChI=1S/C23H26N4O3/c1-15-11-16(2)17-13-21(24-20(17)12-15)23(29)26-19-6-4-3-5-18(19)25-22(28)14-27-7-9-30-10-8-27/h3-6,11-13,24H,7-10,14H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyLKCZYVVGSLOMJD-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.31
Rot. Bonds5

About 4,6-dimethyl-N-[2-[(2-morpholin-4-ylacetyl)amino]phenyl]-1H-indole-2-carboxamide

4,6-dimethyl-N-[2-[(2-morpholin-4-ylacetyl)amino]phenyl]-1H-indole-2-carboxamide (PubChem CID 46976556) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 4,6-dimethyl-N-[2-[(2-morpholin-4-ylacetyl)amino]phenyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4,6-dimethyl-N-[2-[(2-morpholin-4-ylacetyl)amino]phenyl]-1H-indole-2-carboxamide
PubChem CID46976556
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name4,6-dimethyl-N-[2-[(2-morpholin-4-ylacetyl)amino]phenyl]-1H-indole-2-carboxamide
SMILESCc1cc(C)c2cc(C(=O)Nc3ccccc3NC(=O)CN3CCOCC3)[nH]c2c1
InChIInChI=1S/C23H26N4O3/c1-15-11-16(2)17-13-21(24-20(17)12-15)23(29)26-19-6-4-3-5-18(19)25-22(28)14-27-7-9-30-10-8-27/h3-6,11-13,24H,7-10,14H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyLKCZYVVGSLOMJD-UHFFFAOYSA-N
XLogP3.31
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-[2-[(2-morpholin-4-ylacetyl)amino]phenyl]-1H-indole-2-carboxamide?
The IUPAC name of 4,6-dimethyl-N-[2-[(2-morpholin-4-ylacetyl)amino]phenyl]-1H-indole-2-carboxamide (CID 46976556) is 4,6-dimethyl-N-[2-[(2-morpholin-4-ylacetyl)amino]phenyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 4,6-dimethyl-N-[2-[(2-morpholin-4-ylacetyl)amino]phenyl]-1H-indole-2-carboxamide?
The canonical SMILES for 4,6-dimethyl-N-[2-[(2-morpholin-4-ylacetyl)amino]phenyl]-1H-indole-2-carboxamide is Cc1cc(C)c2cc(C(=O)Nc3ccccc3NC(=O)CN3CCOCC3)[nH]c2c1.
What is the InChIKey of 4,6-dimethyl-N-[2-[(2-morpholin-4-ylacetyl)amino]phenyl]-1H-indole-2-carboxamide?
The InChIKey is LKCZYVVGSLOMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-15-11-16(2)17-13-21(24-20(17)12-15)23(29)26-19-6-4-3-5-18(19)25-22(28)14-27-7-9-30-10-8-27/h3-6,11-13,24H,7-10,14H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of 4,6-dimethyl-N-[2-[(2-morpholin-4-ylacetyl)amino]phenyl]-1H-indole-2-carboxamide?
4,6-dimethyl-N-[2-[(2-morpholin-4-ylacetyl)amino]phenyl]-1H-indole-2-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 3.31, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-[2-[(2-morpholin-4-ylacetyl)amino]phenyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 46976556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).