ethanamine;ethane;N-[2-[[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]propanamide;methylcyclohexane;propane

C26H59N5O4 — CID 168915317

IUPACethanamine;ethane;N-[2-[[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]propanamide;methylcyclohexane;propane
SMILESCC.CC.CC1CCCCC1.CCC.CCC(=O)NCC(=O)NCC(=O)NCC(=O)NC.CCN
InChIInChI=1S/C10H18N4O4.C7H14.C3H8.C2H7N.2C2H6/c1-3-7(15)12-5-9(17)14-6-10(18)13-4-8(16)11-2;1-7-5-3-2-4-6-7;1-3-2;1-2-3;2*1-2/h3-6H2,1-2H3,(H,11,16)(H,12,15)(H,13,18)(H,14,17);7H,2-6H2,1H3;3H2,1-2H3;2-3H2,1H3;2*1-2H3
InChIKeyTYTIDKZHBOSSBM-UHFFFAOYSA-N
MW505.79 g/mol
LogP3.51
Rot. Bonds7

About ethanamine;ethane;N-[2-[[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]propanamide;methylcyclohexane;propane

ethanamine;ethane;N-[2-[[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]propanamide;methylcyclohexane;propane (PubChem CID 168915317) has the molecular formula C26H59N5O4 and a molecular weight of 505.79 g/mol. Its IUPAC name is ethanamine;ethane;N-[2-[[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]propanamide;methylcyclohexane;propane.

Molecular Properties

Compound Nameethanamine;ethane;N-[2-[[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]propanamide;methylcyclohexane;propane
PubChem CID168915317
Molecular FormulaC26H59N5O4
Molecular Weight505.79 g/mol
Exact Mass505.46
IUPAC Nameethanamine;ethane;N-[2-[[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]propanamide;methylcyclohexane;propane
SMILESCC.CC.CC1CCCCC1.CCC.CCC(=O)NCC(=O)NCC(=O)NCC(=O)NC.CCN
InChIInChI=1S/C10H18N4O4.C7H14.C3H8.C2H7N.2C2H6/c1-3-7(15)12-5-9(17)14-6-10(18)13-4-8(16)11-2;1-7-5-3-2-4-6-7;1-3-2;1-2-3;2*1-2/h3-6H2,1-2H3,(H,11,16)(H,12,15)(H,13,18)(H,14,17);7H,2-6H2,1H3;3H2,1-2H3;2-3H2,1H3;2*1-2H3
InChIKeyTYTIDKZHBOSSBM-UHFFFAOYSA-N
XLogP3.51
TPSA142.42 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.79
LogP ≤ 53.51
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze ethanamine;ethane;N-[2-[[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]propanamide;methylcyclohexane;propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethanamine;ethane;N-[2-[[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]propanamide;methylcyclohexane;propane?
The IUPAC name of ethanamine;ethane;N-[2-[[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]propanamide;methylcyclohexane;propane (CID 168915317) is ethanamine;ethane;N-[2-[[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]propanamide;methylcyclohexane;propane.
What is the SMILES notation for ethanamine;ethane;N-[2-[[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]propanamide;methylcyclohexane;propane?
The canonical SMILES for ethanamine;ethane;N-[2-[[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]propanamide;methylcyclohexane;propane is CC.CC.CC1CCCCC1.CCC.CCC(=O)NCC(=O)NCC(=O)NCC(=O)NC.CCN.
What is the InChIKey of ethanamine;ethane;N-[2-[[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]propanamide;methylcyclohexane;propane?
The InChIKey is TYTIDKZHBOSSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O4.C7H14.C3H8.C2H7N.2C2H6/c1-3-7(15)12-5-9(17)14-6-10(18)13-4-8(16)11-2;1-7-5-3-2-4-6-7;1-3-2;1-2-3;2*1-2/h3-6H2,1-2H3,(H,11,16)(H,12,15)(H,13,18)(H,14,17);7H,2-6H2,1H3;3H2,1-2H3;2-3H2,1H3;2*1-2H3.
What are the key properties of ethanamine;ethane;N-[2-[[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]propanamide;methylcyclohexane;propane?
ethanamine;ethane;N-[2-[[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]propanamide;methylcyclohexane;propane has a molecular weight of 505.79 g/mol, XLogP of 3.51, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethanamine;ethane;N-[2-[[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]propanamide;methylcyclohexane;propane is sourced from PubChem (CID 168915317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).