4-(5-methoxy-1H-indole-3-carbonyl)-N,2-dimethylmorpholine-2-carboxamide

C17H21N3O4 — CID 132764227

IUPAC4-(5-methoxy-1H-indole-3-carbonyl)-N,2-dimethylmorpholine-2-carboxamide
SMILESCNC(=O)C1(C)CN(C(=O)c2c[nH]c3ccc(OC)cc23)CCO1
InChIInChI=1S/C17H21N3O4/c1-17(16(22)18-2)10-20(6-7-24-17)15(21)13-9-19-14-5-4-11(23-3)8-12(13)14/h4-5,8-9,19H,6-7,10H2,1-3H3,(H,18,22)
InChIKeyGRQYWFPNNIHHPN-UHFFFAOYSA-N
MW331.37 g/mol
LogP1.15
Rot. Bonds3

About 4-(5-methoxy-1H-indole-3-carbonyl)-N,2-dimethylmorpholine-2-carboxamide

4-(5-methoxy-1H-indole-3-carbonyl)-N,2-dimethylmorpholine-2-carboxamide (PubChem CID 132764227) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is 4-(5-methoxy-1H-indole-3-carbonyl)-N,2-dimethylmorpholine-2-carboxamide.

Molecular Properties

Compound Name4-(5-methoxy-1H-indole-3-carbonyl)-N,2-dimethylmorpholine-2-carboxamide
PubChem CID132764227
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name4-(5-methoxy-1H-indole-3-carbonyl)-N,2-dimethylmorpholine-2-carboxamide
SMILESCNC(=O)C1(C)CN(C(=O)c2c[nH]c3ccc(OC)cc23)CCO1
InChIInChI=1S/C17H21N3O4/c1-17(16(22)18-2)10-20(6-7-24-17)15(21)13-9-19-14-5-4-11(23-3)8-12(13)14/h4-5,8-9,19H,6-7,10H2,1-3H3,(H,18,22)
InChIKeyGRQYWFPNNIHHPN-UHFFFAOYSA-N
XLogP1.15
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(5-methoxy-1H-indol-3-yl)ethane-1,2-dione
CID 113208410
(5-methoxy-1H-indol-3-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 113206035
4-[(5-methoxy-1H-indol-2-yl)methyl]-N,2-dimethylmorpholine-2-carboxamide
CID 127247721
(2S)-4-(5-fluoro-3-methyl-1H-indole-2-carbonyl)-N,2-dimethylmorpholine-2-carboxamide
CID 124953771
(2S)-N,2-dimethyl-4-(1-methylpyrazole-3-carbonyl)morpholine-2-carboxamide
CID 95815552
(6-methoxy-1H-indol-3-yl)-piperidin-1-ylmethanone
CID 113206512
(5-methoxy-1H-indol-3-yl)-(4-methoxyphenyl)methanone
CID 43340483
2-(5-methoxy-1H-indol-3-yl)-2-oxoacetaldehyde
CID 50901388
(6-amino-1H-indol-3-yl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 61093708
6-methoxy-3-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]-1H-quinolin-4-one
CID 135107741
[(3R)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(5-methoxy-1H-indol-3-yl)methanone
CID 125012958
[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(5-methoxy-1H-indol-3-yl)methanone
CID 127246684

Frequently Asked Questions

What is the IUPAC name of 4-(5-methoxy-1H-indole-3-carbonyl)-N,2-dimethylmorpholine-2-carboxamide?
The IUPAC name of 4-(5-methoxy-1H-indole-3-carbonyl)-N,2-dimethylmorpholine-2-carboxamide (CID 132764227) is 4-(5-methoxy-1H-indole-3-carbonyl)-N,2-dimethylmorpholine-2-carboxamide.
What is the SMILES notation for 4-(5-methoxy-1H-indole-3-carbonyl)-N,2-dimethylmorpholine-2-carboxamide?
The canonical SMILES for 4-(5-methoxy-1H-indole-3-carbonyl)-N,2-dimethylmorpholine-2-carboxamide is CNC(=O)C1(C)CN(C(=O)c2c[nH]c3ccc(OC)cc23)CCO1.
What is the InChIKey of 4-(5-methoxy-1H-indole-3-carbonyl)-N,2-dimethylmorpholine-2-carboxamide?
The InChIKey is GRQYWFPNNIHHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-17(16(22)18-2)10-20(6-7-24-17)15(21)13-9-19-14-5-4-11(23-3)8-12(13)14/h4-5,8-9,19H,6-7,10H2,1-3H3,(H,18,22).
What are the key properties of 4-(5-methoxy-1H-indole-3-carbonyl)-N,2-dimethylmorpholine-2-carboxamide?
4-(5-methoxy-1H-indole-3-carbonyl)-N,2-dimethylmorpholine-2-carboxamide has a molecular weight of 331.37 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methoxy-1H-indole-3-carbonyl)-N,2-dimethylmorpholine-2-carboxamide is sourced from PubChem (CID 132764227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).