[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate

C18H23N3O4 — CID 9016493

IUPAC[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
SMILESCNC(=O)CN(C)C(=O)COC(=O)CCCc1c[nH]c2ccccc12
InChIInChI=1S/C18H23N3O4/c1-19-16(22)11-21(2)17(23)12-25-18(24)9-5-6-13-10-20-15-8-4-3-7-14(13)15/h3-4,7-8,10,20H,5-6,9,11-12H2,1-2H3,(H,19,22)
InChIKeyBBLRNFSLCMYMMD-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.24
Rot. Bonds8

About [2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate

[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate (PubChem CID 9016493) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is [2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate.

Molecular Properties

Compound Name[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
PubChem CID9016493
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
SMILESCNC(=O)CN(C)C(=O)COC(=O)CCCc1c[nH]c2ccccc12
InChIInChI=1S/C18H23N3O4/c1-19-16(22)11-21(2)17(23)12-25-18(24)9-5-6-13-10-20-15-8-4-3-7-14(13)15/h3-4,7-8,10,20H,5-6,9,11-12H2,1-2H3,(H,19,22)
InChIKeyBBLRNFSLCMYMMD-UHFFFAOYSA-N
XLogP1.24
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate with MolForge

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Related Compounds

[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 7659253
[2-oxo-2-(propylamino)ethyl] 4-(1H-indol-3-yl)butanoate
CID 4024790
ethyl 4-(1H-indol-3-yl)butanoate;hydrochloride
CID 67834075
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 7659140
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 2495066
[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] 4-(1H-indol-3-yl)butanoate
CID 9016665
ethyl 10-(1H-indol-3-yl)-7-oxodecanoate
CID 58248748
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 2475685
[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 55304114
ethyl 2-[[2-[4-(1H-indol-3-yl)butanoyloxy]acetyl]amino]benzoate
CID 7662484
N-[2-(4-chloroanilino)-2-oxoethyl]-4-(1H-indol-3-yl)-N-methylbutanamide
CID 4807536
[2-(4-bromoanilino)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 2346960

Frequently Asked Questions

What is the IUPAC name of [2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate?
The IUPAC name of [2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate (CID 9016493) is [2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate.
What is the SMILES notation for [2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate?
The canonical SMILES for [2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate is CNC(=O)CN(C)C(=O)COC(=O)CCCc1c[nH]c2ccccc12.
What is the InChIKey of [2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate?
The InChIKey is BBLRNFSLCMYMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-19-16(22)11-21(2)17(23)12-25-18(24)9-5-6-13-10-20-15-8-4-3-7-14(13)15/h3-4,7-8,10,20H,5-6,9,11-12H2,1-2H3,(H,19,22).
What are the key properties of [2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate?
[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate has a molecular weight of 345.40 g/mol, XLogP of 1.24, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate is sourced from PubChem (CID 9016493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).