ethane;methanamine;3-(2-methylpropyl)-1H-indole;N-(2-oxoethyl)acetamide;propane

C22H41N3O2 — CID 168915443

IUPACethane;methanamine;3-(2-methylpropyl)-1H-indole;N-(2-oxoethyl)acetamide;propane
SMILESCC.CC(=O)NCC=O.CC(C)Cc1c[nH]c2ccccc12.CCC.CN
InChIInChI=1S/C12H15N.C4H7NO2.C3H8.C2H6.CH5N/c1-9(2)7-10-8-13-12-6-4-3-5-11(10)12;1-4(7)5-2-3-6;1-3-2;2*1-2/h3-6,8-9,13H,7H2,1-2H3;3H,2H2,1H3,(H,5,7);3H2,1-2H3;1-2H3;2H2,1H3
InChIKeyIRTWXBTYIWTBME-UHFFFAOYSA-N
MW379.59 g/mol
LogP4.71
Rot. Bonds4

About ethane;methanamine;3-(2-methylpropyl)-1H-indole;N-(2-oxoethyl)acetamide;propane

ethane;methanamine;3-(2-methylpropyl)-1H-indole;N-(2-oxoethyl)acetamide;propane (PubChem CID 168915443) has the molecular formula C22H41N3O2 and a molecular weight of 379.59 g/mol. Its IUPAC name is ethane;methanamine;3-(2-methylpropyl)-1H-indole;N-(2-oxoethyl)acetamide;propane.

Molecular Properties

Compound Nameethane;methanamine;3-(2-methylpropyl)-1H-indole;N-(2-oxoethyl)acetamide;propane
PubChem CID168915443
Molecular FormulaC22H41N3O2
Molecular Weight379.59 g/mol
Exact Mass379.32
IUPAC Nameethane;methanamine;3-(2-methylpropyl)-1H-indole;N-(2-oxoethyl)acetamide;propane
SMILESCC.CC(=O)NCC=O.CC(C)Cc1c[nH]c2ccccc12.CCC.CN
InChIInChI=1S/C12H15N.C4H7NO2.C3H8.C2H6.CH5N/c1-9(2)7-10-8-13-12-6-4-3-5-11(10)12;1-4(7)5-2-3-6;1-3-2;2*1-2/h3-6,8-9,13H,7H2,1-2H3;3H,2H2,1H3,(H,5,7);3H2,1-2H3;1-2H3;2H2,1H3
InChIKeyIRTWXBTYIWTBME-UHFFFAOYSA-N
XLogP4.71
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.59
LogP ≤ 54.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;methyl 3-(1H-indol-3-yl)-2-methylpropanoate
CID 169189360
acetaldehyde;(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid
CID 88778377
N-[1-(1H-indol-3-yl)-3-oxobutan-2-yl]formamide
CID 123425108
N-[1-(1H-indol-3-yl)-3-[methyl(propan-2-yl)amino]propan-2-yl]acetamide
CID 21345269
ethyl (2S)-3-(1H-indol-3-yl)-2-methylpropanoate
CID 170617475
2-amino-3-(1H-indol-3-yl)propanoic acid;2-aminopropanoic acid
CID 19078905
diethylboranyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate
CID 99773095
2-amino-3-(1H-indol-3-yl)propanal;methanol
CID 144925794
3-ethyl-1H-indole;methanamine
CID 142222050
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid
CID 6305
(2S)-2-amino-3-(1H-indol-3-yl)(1,2,3-13C3)propanoic acid
CID 162642150
N-[3-(1H-indol-3-yl)-2-methylpropyl]benzamide
CID 13101578

Frequently Asked Questions

What is the IUPAC name of ethane;methanamine;3-(2-methylpropyl)-1H-indole;N-(2-oxoethyl)acetamide;propane?
The IUPAC name of ethane;methanamine;3-(2-methylpropyl)-1H-indole;N-(2-oxoethyl)acetamide;propane (CID 168915443) is ethane;methanamine;3-(2-methylpropyl)-1H-indole;N-(2-oxoethyl)acetamide;propane.
What is the SMILES notation for ethane;methanamine;3-(2-methylpropyl)-1H-indole;N-(2-oxoethyl)acetamide;propane?
The canonical SMILES for ethane;methanamine;3-(2-methylpropyl)-1H-indole;N-(2-oxoethyl)acetamide;propane is CC.CC(=O)NCC=O.CC(C)Cc1c[nH]c2ccccc12.CCC.CN.
What is the InChIKey of ethane;methanamine;3-(2-methylpropyl)-1H-indole;N-(2-oxoethyl)acetamide;propane?
The InChIKey is IRTWXBTYIWTBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N.C4H7NO2.C3H8.C2H6.CH5N/c1-9(2)7-10-8-13-12-6-4-3-5-11(10)12;1-4(7)5-2-3-6;1-3-2;2*1-2/h3-6,8-9,13H,7H2,1-2H3;3H,2H2,1H3,(H,5,7);3H2,1-2H3;1-2H3;2H2,1H3.
What are the key properties of ethane;methanamine;3-(2-methylpropyl)-1H-indole;N-(2-oxoethyl)acetamide;propane?
ethane;methanamine;3-(2-methylpropyl)-1H-indole;N-(2-oxoethyl)acetamide;propane has a molecular weight of 379.59 g/mol, XLogP of 4.71, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanamine;3-(2-methylpropyl)-1H-indole;N-(2-oxoethyl)acetamide;propane is sourced from PubChem (CID 168915443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).