[1-(2,6-dimethylmorpholin-4-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]urea

C18H24N4O3 — CID 17433076

IUPAC[1-(2,6-dimethylmorpholin-4-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]urea
SMILESCC1CN(C(=O)C(Cc2c[nH]c3ccccc23)NC(N)=O)CC(C)O1
InChIInChI=1S/C18H24N4O3/c1-11-9-22(10-12(2)25-11)17(23)16(21-18(19)24)7-13-8-20-15-6-4-3-5-14(13)15/h3-6,8,11-12,16,20H,7,9-10H2,1-2H3,(H3,19,21,24)
InChIKeyGAFZTIXFGFXQAK-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.38
Rot. Bonds4

About [1-(2,6-dimethylmorpholin-4-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]urea

[1-(2,6-dimethylmorpholin-4-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]urea (PubChem CID 17433076) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is [1-(2,6-dimethylmorpholin-4-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]urea.

Molecular Properties

Compound Name[1-(2,6-dimethylmorpholin-4-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]urea
PubChem CID17433076
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name[1-(2,6-dimethylmorpholin-4-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]urea
SMILESCC1CN(C(=O)C(Cc2c[nH]c3ccccc23)NC(N)=O)CC(C)O1
InChIInChI=1S/C18H24N4O3/c1-11-9-22(10-12(2)25-11)17(23)16(21-18(19)24)7-13-8-20-15-6-4-3-5-14(13)15/h3-6,8,11-12,16,20H,7,9-10H2,1-2H3,(H3,19,21,24)
InChIKeyGAFZTIXFGFXQAK-UHFFFAOYSA-N
XLogP1.38
TPSA100.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
CID 39878211
N-[(2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
CID 39878210
(2S)-2-(carbamoylamino)-N-[(1R)-1-cyclopropylethyl]-3-(1H-indol-3-yl)propanamide
CID 33044135
2-(carbamoylamino)-N-(1-cyclopropylethyl)-3-(1H-indol-3-yl)propanamide
CID 71902105
N-[(2S)-3-(1H-indol-3-yl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]cyclopropanecarboxamide
CID 110286467
N-[1-(azepan-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
CID 55647817
N-[3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-methylpropanamide
CID 42698643
N-(1,3-benzodioxol-5-yl)-1-[(2R)-2-(carbamoylamino)-3-(1H-indol-3-yl)propanoyl]piperidine-4-carboxamide
CID 34452964
N-(1,3-benzodioxol-5-yl)-1-[(2S)-2-(carbamoylamino)-3-(1H-indol-3-yl)propanoyl]piperidine-4-carboxamide
CID 34452958
N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-2,2-dimethylpropanamide
CID 110286392
N-[(2S)-3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 110286492
4-chloro-N-[3-(1H-indol-3-yl)-1-(2-methylmorpholin-4-yl)-1-oxopropan-2-yl]benzenesulfonamide
CID 42889070

Frequently Asked Questions

What is the IUPAC name of [1-(2,6-dimethylmorpholin-4-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]urea?
The IUPAC name of [1-(2,6-dimethylmorpholin-4-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]urea (CID 17433076) is [1-(2,6-dimethylmorpholin-4-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]urea.
What is the SMILES notation for [1-(2,6-dimethylmorpholin-4-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]urea?
The canonical SMILES for [1-(2,6-dimethylmorpholin-4-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]urea is CC1CN(C(=O)C(Cc2c[nH]c3ccccc23)NC(N)=O)CC(C)O1.
What is the InChIKey of [1-(2,6-dimethylmorpholin-4-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]urea?
The InChIKey is GAFZTIXFGFXQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-11-9-22(10-12(2)25-11)17(23)16(21-18(19)24)7-13-8-20-15-6-4-3-5-14(13)15/h3-6,8,11-12,16,20H,7,9-10H2,1-2H3,(H3,19,21,24).
What are the key properties of [1-(2,6-dimethylmorpholin-4-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]urea?
[1-(2,6-dimethylmorpholin-4-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]urea has a molecular weight of 344.42 g/mol, XLogP of 1.38, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,6-dimethylmorpholin-4-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]urea is sourced from PubChem (CID 17433076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).