ethane;(E)-N-(2-ethoxyethyl)-5-methyl-4-oxohex-2-enamide;N-(2-methoxyethyl)-5,5-dimethyl-4-oxoheptanamide;molecular hydrogen

C25H52N2O6 — CID 167448013

IUPACethane;(E)-N-(2-ethoxyethyl)-5-methyl-4-oxohex-2-enamide;N-(2-methoxyethyl)-5,5-dimethyl-4-oxoheptanamide;molecular hydrogen
SMILESCC.CCC(C)(C)C(=O)CCC(=O)NCCOC.CCOCCNC(=O)/C=C/C(=O)C(C)C.[H][H].[H][H]
InChIInChI=1S/C12H23NO3.C11H19NO3.C2H6.2H2/c1-5-12(2,3)10(14)6-7-11(15)13-8-9-16-4;1-4-15-8-7-12-11(14)6-5-10(13)9(2)3;1-2;;/h5-9H2,1-4H3,(H,13,15);5-6,9H,4,7-8H2,1-3H3,(H,12,14);1-2H3;2*1H/b;6-5+;;;
InChIKeyPKDOEFUXICEBID-BVUYPTAJSA-N
MW476.70 g/mol
LogP3.97
Rot. Bonds15

About ethane;(E)-N-(2-ethoxyethyl)-5-methyl-4-oxohex-2-enamide;N-(2-methoxyethyl)-5,5-dimethyl-4-oxoheptanamide;molecular hydrogen

ethane;(E)-N-(2-ethoxyethyl)-5-methyl-4-oxohex-2-enamide;N-(2-methoxyethyl)-5,5-dimethyl-4-oxoheptanamide;molecular hydrogen (PubChem CID 167448013) has the molecular formula C25H52N2O6 and a molecular weight of 476.70 g/mol. Its IUPAC name is ethane;(E)-N-(2-ethoxyethyl)-5-methyl-4-oxohex-2-enamide;N-(2-methoxyethyl)-5,5-dimethyl-4-oxoheptanamide;molecular hydrogen.

Molecular Properties

Compound Nameethane;(E)-N-(2-ethoxyethyl)-5-methyl-4-oxohex-2-enamide;N-(2-methoxyethyl)-5,5-dimethyl-4-oxoheptanamide;molecular hydrogen
PubChem CID167448013
Molecular FormulaC25H52N2O6
Molecular Weight476.70 g/mol
Exact Mass476.38
IUPAC Nameethane;(E)-N-(2-ethoxyethyl)-5-methyl-4-oxohex-2-enamide;N-(2-methoxyethyl)-5,5-dimethyl-4-oxoheptanamide;molecular hydrogen
SMILESCC.CCC(C)(C)C(=O)CCC(=O)NCCOC.CCOCCNC(=O)/C=C/C(=O)C(C)C.[H][H].[H][H]
InChIInChI=1S/C12H23NO3.C11H19NO3.C2H6.2H2/c1-5-12(2,3)10(14)6-7-11(15)13-8-9-16-4;1-4-15-8-7-12-11(14)6-5-10(13)9(2)3;1-2;;/h5-9H2,1-4H3,(H,13,15);5-6,9H,4,7-8H2,1-3H3,(H,12,14);1-2H3;2*1H/b;6-5+;;;
InChIKeyPKDOEFUXICEBID-BVUYPTAJSA-N
XLogP3.97
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.70
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethane;(E)-N-(2-ethoxyethyl)-5-methyl-4-oxohex-2-enamide;N-(2-methoxyethyl)-5,5-dimethyl-4-oxoheptanamide;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

(E)-N-(2-ethoxyethyl)-5-methyl-4-oxohex-2-enamide;molecular hydrogen
CID 171558068
(E)-5-methyl-4-oxo-N-(2-propoxyethyl)hex-2-enamide
CID 178008368
5-ethoxy-N-[2-(2-propan-2-yloxyethoxy)ethyl]pentanamide;molecular hydrogen
CID 177338018
(E)-N-(2-ethoxyethyl)-4-oxohex-2-enamide
CID 174204849
3-[2-(2-ethoxyethoxy)ethoxy]-N-(2-propan-2-yloxyethyl)propanamide;molecular hydrogen
CID 156820526
5-ethoxy-N-[2-(3-methylbutoxy)ethyl]pentanamide;molecular hydrogen
CID 177338046
N-(2-ethoxyethyl)-4-(propan-2-ylamino)butanamide
CID 60850792
3-(2-ethoxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]propanamide
CID 169159624
ethane;N-(2-methoxyethyl)propanamide;molecular hydrogen
CID 145484894
N,N'-bis(2-methoxyethyl)hexanediamide
CID 2933923
N-(2-ethoxyethyl)-2-(3-methyl-2-oxobutoxy)acetamide;molecular hydrogen
CID 156820587
molecular hydrogen;(E)-4-oxo-N-(2-propan-2-yloxyethyl)hex-2-enamide
CID 167491604

Frequently Asked Questions

What is the IUPAC name of ethane;(E)-N-(2-ethoxyethyl)-5-methyl-4-oxohex-2-enamide;N-(2-methoxyethyl)-5,5-dimethyl-4-oxoheptanamide;molecular hydrogen?
The IUPAC name of ethane;(E)-N-(2-ethoxyethyl)-5-methyl-4-oxohex-2-enamide;N-(2-methoxyethyl)-5,5-dimethyl-4-oxoheptanamide;molecular hydrogen (CID 167448013) is ethane;(E)-N-(2-ethoxyethyl)-5-methyl-4-oxohex-2-enamide;N-(2-methoxyethyl)-5,5-dimethyl-4-oxoheptanamide;molecular hydrogen.
What is the SMILES notation for ethane;(E)-N-(2-ethoxyethyl)-5-methyl-4-oxohex-2-enamide;N-(2-methoxyethyl)-5,5-dimethyl-4-oxoheptanamide;molecular hydrogen?
The canonical SMILES for ethane;(E)-N-(2-ethoxyethyl)-5-methyl-4-oxohex-2-enamide;N-(2-methoxyethyl)-5,5-dimethyl-4-oxoheptanamide;molecular hydrogen is CC.CCC(C)(C)C(=O)CCC(=O)NCCOC.CCOCCNC(=O)/C=C/C(=O)C(C)C.[H][H].[H][H].
What is the InChIKey of ethane;(E)-N-(2-ethoxyethyl)-5-methyl-4-oxohex-2-enamide;N-(2-methoxyethyl)-5,5-dimethyl-4-oxoheptanamide;molecular hydrogen?
The InChIKey is PKDOEFUXICEBID-BVUYPTAJSA-N. The full InChI is InChI=1S/C12H23NO3.C11H19NO3.C2H6.2H2/c1-5-12(2,3)10(14)6-7-11(15)13-8-9-16-4;1-4-15-8-7-12-11(14)6-5-10(13)9(2)3;1-2;;/h5-9H2,1-4H3,(H,13,15);5-6,9H,4,7-8H2,1-3H3,(H,12,14);1-2H3;2*1H/b;6-5+;;;.
What are the key properties of ethane;(E)-N-(2-ethoxyethyl)-5-methyl-4-oxohex-2-enamide;N-(2-methoxyethyl)-5,5-dimethyl-4-oxoheptanamide;molecular hydrogen?
ethane;(E)-N-(2-ethoxyethyl)-5-methyl-4-oxohex-2-enamide;N-(2-methoxyethyl)-5,5-dimethyl-4-oxoheptanamide;molecular hydrogen has a molecular weight of 476.70 g/mol, XLogP of 3.97, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E)-N-(2-ethoxyethyl)-5-methyl-4-oxohex-2-enamide;N-(2-methoxyethyl)-5,5-dimethyl-4-oxoheptanamide;molecular hydrogen is sourced from PubChem (CID 167448013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).