4-(1,2-dimethylindole-3-carbonyl)-2-methylmorpholine-2-carboxamide

C17H21N3O3 — CID 110268334

IUPAC4-(1,2-dimethylindole-3-carbonyl)-2-methylmorpholine-2-carboxamide
SMILESCc1c(C(=O)N2CCOC(C)(C(N)=O)C2)c2ccccc2n1C
InChIInChI=1S/C17H21N3O3/c1-11-14(12-6-4-5-7-13(12)19(11)3)15(21)20-8-9-23-17(2,10-20)16(18)22/h4-7H,8-10H2,1-3H3,(H2,18,22)
InChIKeyUVQJQSONYKMHRR-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.20
Rot. Bonds2

About 4-(1,2-dimethylindole-3-carbonyl)-2-methylmorpholine-2-carboxamide

4-(1,2-dimethylindole-3-carbonyl)-2-methylmorpholine-2-carboxamide (PubChem CID 110268334) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 4-(1,2-dimethylindole-3-carbonyl)-2-methylmorpholine-2-carboxamide.

Molecular Properties

Compound Name4-(1,2-dimethylindole-3-carbonyl)-2-methylmorpholine-2-carboxamide
PubChem CID110268334
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name4-(1,2-dimethylindole-3-carbonyl)-2-methylmorpholine-2-carboxamide
SMILESCc1c(C(=O)N2CCOC(C)(C(N)=O)C2)c2ccccc2n1C
InChIInChI=1S/C17H21N3O3/c1-11-14(12-6-4-5-7-13(12)19(11)3)15(21)20-8-9-23-17(2,10-20)16(18)22/h4-7H,8-10H2,1-3H3,(H2,18,22)
InChIKeyUVQJQSONYKMHRR-UHFFFAOYSA-N
XLogP1.20
TPSA77.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1,2-dimethylindol-3-yl)-piperazin-1-ylmethanone
CID 82300062
[(3S)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(1,2-dimethylindol-3-yl)methanone
CID 124996348
methyl 4-(1,2-dimethylindole-3-carbonyl)piperazine-1-carboxylate
CID 110803299
(2R)-2-methyl-4-(1-methylpyrazole-3-carbonyl)morpholine-2-carboxamide
CID 95815549
[4-(1,2-dimethylindole-3-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 110801875
4-(1,2-dimethylindole-3-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 110805060
(2R)-2-methyl-4-(1-phenylcyclopropanecarbonyl)morpholine-2-carboxamide
CID 95839509
(1,2-dimethylindol-3-yl)-[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
CID 110156922
1-(1,2-dimethylindol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione
CID 7087146
cyclopentyl-[4-(1,2-dimethylindole-3-carbonyl)piperazin-1-yl]methanone
CID 110801629
[4-(1,2-dimethylindole-3-carbonyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 110815350
1-[4-(1,2-dimethylindole-3-carbonyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 110803980

Frequently Asked Questions

What is the IUPAC name of 4-(1,2-dimethylindole-3-carbonyl)-2-methylmorpholine-2-carboxamide?
The IUPAC name of 4-(1,2-dimethylindole-3-carbonyl)-2-methylmorpholine-2-carboxamide (CID 110268334) is 4-(1,2-dimethylindole-3-carbonyl)-2-methylmorpholine-2-carboxamide.
What is the SMILES notation for 4-(1,2-dimethylindole-3-carbonyl)-2-methylmorpholine-2-carboxamide?
The canonical SMILES for 4-(1,2-dimethylindole-3-carbonyl)-2-methylmorpholine-2-carboxamide is Cc1c(C(=O)N2CCOC(C)(C(N)=O)C2)c2ccccc2n1C.
What is the InChIKey of 4-(1,2-dimethylindole-3-carbonyl)-2-methylmorpholine-2-carboxamide?
The InChIKey is UVQJQSONYKMHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-11-14(12-6-4-5-7-13(12)19(11)3)15(21)20-8-9-23-17(2,10-20)16(18)22/h4-7H,8-10H2,1-3H3,(H2,18,22).
What are the key properties of 4-(1,2-dimethylindole-3-carbonyl)-2-methylmorpholine-2-carboxamide?
4-(1,2-dimethylindole-3-carbonyl)-2-methylmorpholine-2-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-dimethylindole-3-carbonyl)-2-methylmorpholine-2-carboxamide is sourced from PubChem (CID 110268334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).