ethane;2-[4-(2-methylprop-2-enoxy)butanoyloxy]ethyl 4-(2-aminoethylamino)-4-oxobutanoate;molecular hydrogen

C18H38N2O6 — CID 168904058

IUPACethane;2-[4-(2-methylprop-2-enoxy)butanoyloxy]ethyl 4-(2-aminoethylamino)-4-oxobutanoate;molecular hydrogen
SMILESC=C(C)COCCCC(=O)OCCOC(=O)CCC(=O)NCCN.CC.[H][H].[H][H]
InChIInChI=1S/C16H28N2O6.C2H6.2H2/c1-13(2)12-22-9-3-4-15(20)23-10-11-24-16(21)6-5-14(19)18-8-7-17;1-2;;/h1,3-12,17H2,2H3,(H,18,19);1-2H3;2*1H
InChIKeyKFOHNEIVKXJPKZ-UHFFFAOYSA-N
MW378.51 g/mol
LogP1.82
Rot. Bonds14

About ethane;2-[4-(2-methylprop-2-enoxy)butanoyloxy]ethyl 4-(2-aminoethylamino)-4-oxobutanoate;molecular hydrogen

ethane;2-[4-(2-methylprop-2-enoxy)butanoyloxy]ethyl 4-(2-aminoethylamino)-4-oxobutanoate;molecular hydrogen (PubChem CID 168904058) has the molecular formula C18H38N2O6 and a molecular weight of 378.51 g/mol. Its IUPAC name is ethane;2-[4-(2-methylprop-2-enoxy)butanoyloxy]ethyl 4-(2-aminoethylamino)-4-oxobutanoate;molecular hydrogen.

Molecular Properties

Compound Nameethane;2-[4-(2-methylprop-2-enoxy)butanoyloxy]ethyl 4-(2-aminoethylamino)-4-oxobutanoate;molecular hydrogen
PubChem CID168904058
Molecular FormulaC18H38N2O6
Molecular Weight378.51 g/mol
Exact Mass378.27
IUPAC Nameethane;2-[4-(2-methylprop-2-enoxy)butanoyloxy]ethyl 4-(2-aminoethylamino)-4-oxobutanoate;molecular hydrogen
SMILESC=C(C)COCCCC(=O)OCCOC(=O)CCC(=O)NCCN.CC.[H][H].[H][H]
InChIInChI=1S/C16H28N2O6.C2H6.2H2/c1-13(2)12-22-9-3-4-15(20)23-10-11-24-16(21)6-5-14(19)18-8-7-17;1-2;;/h1,3-12,17H2,2H3,(H,18,19);1-2H3;2*1H
InChIKeyKFOHNEIVKXJPKZ-UHFFFAOYSA-N
XLogP1.82
TPSA116.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.51
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze ethane;2-[4-(2-methylprop-2-enoxy)butanoyloxy]ethyl 4-(2-aminoethylamino)-4-oxobutanoate;molecular hydrogen with MolForge

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

Launch Full Analysis

Related Compounds

3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
CID 114467833
1-O-methyl 4-O-[2-(2-methylprop-2-enoxy)ethyl] butanedioate
CID 123402885
4-(2-methylprop-2-enoxy)butanoic acid
CID 10103402
3-(methylamino)-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
CID 114467912
4-hydroxy-N-[2-(2-methylprop-2-enoxy)ethyl]pentanamide
CID 114469554
N-(2-aminoethyl)-2-(4-methylpentoxy)acetamide
CID 61206763
N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
CID 115700214
2,2-dimethyl-N-[4-[2-(2-methylprop-2-enoxy)ethylamino]-4-oxobutyl]propanamide
CID 115699624
N-[2-(2-methylprop-2-enoxy)ethyl]-3-(propan-2-ylamino)propanamide
CID 114467955
N-[2-(2-methylprop-2-enoxy)ethyl]-2-sulfanylacetamide
CID 114469847
ethyl 3-[[2-(2-aminoethoxy)acetyl]amino]propanoate
CID 79478891
ethyl 4-[2-(2-methylprop-2-enoylamino)ethylamino]-4-oxobutanoate
CID 138741807

Frequently Asked Questions

What is the IUPAC name of ethane;2-[4-(2-methylprop-2-enoxy)butanoyloxy]ethyl 4-(2-aminoethylamino)-4-oxobutanoate;molecular hydrogen?
The IUPAC name of ethane;2-[4-(2-methylprop-2-enoxy)butanoyloxy]ethyl 4-(2-aminoethylamino)-4-oxobutanoate;molecular hydrogen (CID 168904058) is ethane;2-[4-(2-methylprop-2-enoxy)butanoyloxy]ethyl 4-(2-aminoethylamino)-4-oxobutanoate;molecular hydrogen.
What is the SMILES notation for ethane;2-[4-(2-methylprop-2-enoxy)butanoyloxy]ethyl 4-(2-aminoethylamino)-4-oxobutanoate;molecular hydrogen?
The canonical SMILES for ethane;2-[4-(2-methylprop-2-enoxy)butanoyloxy]ethyl 4-(2-aminoethylamino)-4-oxobutanoate;molecular hydrogen is C=C(C)COCCCC(=O)OCCOC(=O)CCC(=O)NCCN.CC.[H][H].[H][H].
What is the InChIKey of ethane;2-[4-(2-methylprop-2-enoxy)butanoyloxy]ethyl 4-(2-aminoethylamino)-4-oxobutanoate;molecular hydrogen?
The InChIKey is KFOHNEIVKXJPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O6.C2H6.2H2/c1-13(2)12-22-9-3-4-15(20)23-10-11-24-16(21)6-5-14(19)18-8-7-17;1-2;;/h1,3-12,17H2,2H3,(H,18,19);1-2H3;2*1H.
What are the key properties of ethane;2-[4-(2-methylprop-2-enoxy)butanoyloxy]ethyl 4-(2-aminoethylamino)-4-oxobutanoate;molecular hydrogen?
ethane;2-[4-(2-methylprop-2-enoxy)butanoyloxy]ethyl 4-(2-aminoethylamino)-4-oxobutanoate;molecular hydrogen has a molecular weight of 378.51 g/mol, XLogP of 1.82, 14 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[4-(2-methylprop-2-enoxy)butanoyloxy]ethyl 4-(2-aminoethylamino)-4-oxobutanoate;molecular hydrogen is sourced from PubChem (CID 168904058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).