2-(2-methyl-1H-indol-3-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-oxoacetamide

C20H27N3O3 — CID 46604852

IUPAC2-(2-methyl-1H-indol-3-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-oxoacetamide
SMILESCc1[nH]c2ccccc2c1C(=O)C(=O)NCC1CN(CC(C)C)CCO1
InChIInChI=1S/C20H27N3O3/c1-13(2)11-23-8-9-26-15(12-23)10-21-20(25)19(24)18-14(3)22-17-7-5-4-6-16(17)18/h4-7,13,15,22H,8-12H2,1-3H3,(H,21,25)
InChIKeyPFBZEHUMEIMIKO-UHFFFAOYSA-N
MW357.45 g/mol
LogP2.13
Rot. Bonds6

About 2-(2-methyl-1H-indol-3-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-oxoacetamide

2-(2-methyl-1H-indol-3-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-oxoacetamide (PubChem CID 46604852) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 2-(2-methyl-1H-indol-3-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-(2-methyl-1H-indol-3-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-oxoacetamide
PubChem CID46604852
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name2-(2-methyl-1H-indol-3-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-oxoacetamide
SMILESCc1[nH]c2ccccc2c1C(=O)C(=O)NCC1CN(CC(C)C)CCO1
InChIInChI=1S/C20H27N3O3/c1-13(2)11-23-8-9-26-15(12-23)10-21-20(25)19(24)18-14(3)22-17-7-5-4-6-16(17)18/h4-7,13,15,22H,8-12H2,1-3H3,(H,21,25)
InChIKeyPFBZEHUMEIMIKO-UHFFFAOYSA-N
XLogP2.13
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-1H-indazole-3-carboxamide
CID 30538306
N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2,2-diphenylacetamide
CID 7995361
N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 94014996
2,6-difluoro-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 39485652
N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-9H-xanthene-9-carboxamide
CID 8511058
1-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]indole-3-carboxamide
CID 46576275
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-phenylsulfanylacetamide
CID 78812434
N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 30538422
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 46684563
1-(4-methylphenyl)-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea
CID 4798763
1-benzyl-3-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]thiourea
CID 9283755
N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]thiophene-2-carboxamide
CID 35362501

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1H-indol-3-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-oxoacetamide?
The IUPAC name of 2-(2-methyl-1H-indol-3-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-oxoacetamide (CID 46604852) is 2-(2-methyl-1H-indol-3-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-oxoacetamide.
What is the SMILES notation for 2-(2-methyl-1H-indol-3-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-oxoacetamide?
The canonical SMILES for 2-(2-methyl-1H-indol-3-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-oxoacetamide is Cc1[nH]c2ccccc2c1C(=O)C(=O)NCC1CN(CC(C)C)CCO1.
What is the InChIKey of 2-(2-methyl-1H-indol-3-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-oxoacetamide?
The InChIKey is PFBZEHUMEIMIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-13(2)11-23-8-9-26-15(12-23)10-21-20(25)19(24)18-14(3)22-17-7-5-4-6-16(17)18/h4-7,13,15,22H,8-12H2,1-3H3,(H,21,25).
What are the key properties of 2-(2-methyl-1H-indol-3-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-oxoacetamide?
2-(2-methyl-1H-indol-3-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-oxoacetamide has a molecular weight of 357.45 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1H-indol-3-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-oxoacetamide is sourced from PubChem (CID 46604852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).