N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-[(2R)-2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]acetamide

C23H32N4O4 — CID 124942272

IUPACN-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-[(2R)-2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]acetamide
SMILESCc1[nH]c2ccc(CNC(=O)CN3CCO[C@@](C)(C(=O)N4CCOCC4)C3)cc2c1C
InChIInChI=1S/C23H32N4O4/c1-16-17(2)25-20-5-4-18(12-19(16)20)13-24-21(28)14-26-6-11-31-23(3,15-26)22(29)27-7-9-30-10-8-27/h4-5,12,25H,6-11,13-15H2,1-3H3,(H,24,28)/t23-/m1/s1
InChIKeyATNIRVWHLRYOMF-HSZRJFAPSA-N
MW428.53 g/mol
LogP1.35
Rot. Bonds5

About N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-[(2R)-2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]acetamide

N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-[(2R)-2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]acetamide (PubChem CID 124942272) has the molecular formula C23H32N4O4 and a molecular weight of 428.53 g/mol. Its IUPAC name is N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-[(2R)-2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-[(2R)-2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]acetamide
PubChem CID124942272
Molecular FormulaC23H32N4O4
Molecular Weight428.53 g/mol
Exact Mass428.24
IUPAC NameN-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-[(2R)-2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]acetamide
SMILESCc1[nH]c2ccc(CNC(=O)CN3CCO[C@@](C)(C(=O)N4CCOCC4)C3)cc2c1C
InChIInChI=1S/C23H32N4O4/c1-16-17(2)25-20-5-4-18(12-19(16)20)13-24-21(28)14-26-6-11-31-23(3,15-26)22(29)27-7-9-30-10-8-27/h4-5,12,25H,6-11,13-15H2,1-3H3,(H,24,28)/t23-/m1/s1
InChIKeyATNIRVWHLRYOMF-HSZRJFAPSA-N
XLogP1.35
TPSA86.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-[(2R)-2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]acetamide?
The IUPAC name of N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-[(2R)-2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]acetamide (CID 124942272) is N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-[(2R)-2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]acetamide.
What is the SMILES notation for N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-[(2R)-2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]acetamide?
The canonical SMILES for N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-[(2R)-2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]acetamide is Cc1[nH]c2ccc(CNC(=O)CN3CCO[C@@](C)(C(=O)N4CCOCC4)C3)cc2c1C.
What is the InChIKey of N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-[(2R)-2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]acetamide?
The InChIKey is ATNIRVWHLRYOMF-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H32N4O4/c1-16-17(2)25-20-5-4-18(12-19(16)20)13-24-21(28)14-26-6-11-31-23(3,15-26)22(29)27-7-9-30-10-8-27/h4-5,12,25H,6-11,13-15H2,1-3H3,(H,24,28)/t23-/m1/s1.
What are the key properties of N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-[(2R)-2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]acetamide?
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-[(2R)-2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]acetamide has a molecular weight of 428.53 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-[(2R)-2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]acetamide is sourced from PubChem (CID 124942272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).