(E)-N'-[1-[[5-ethenyl-4-[(E)-4-hydroxy-5-methylhex-2-en-3-yl]-1H-imidazol-2-yl]methyl]-2-oxo-3-pyridinyl]-N,N-dimethylhept-2-enediamide;formamide;methoxymethane

C30H46N6O6 — CID 153403095

IUPAC(E)-N'-[1-[[5-ethenyl-4-[(E)-4-hydroxy-5-methylhex-2-en-3-yl]-1H-imidazol-2-yl]methyl]-2-oxo-3-pyridinyl]-N,N-dimethylhept-2-enediamide;formamide;methoxymethane
SMILESC=Cc1[nH]c(Cn2cccc(NC(=O)CCC/C=C/C(=O)N(C)C)c2=O)nc1/C(=C\C)C(O)C(C)C.COC.NC=O
InChIInChI=1S/C27H37N5O4.C2H6O.CH3NO/c1-7-19(26(35)18(3)4)25-20(8-2)28-22(30-25)17-32-16-12-13-21(27(32)36)29-23(33)14-10-9-11-15-24(34)31(5)6;1-3-2;2-1-3/h7-8,11-13,15-16,18,26,35H,2,9-10,14,17H2,1,3-6H3,(H,28,30)(H,29,33);1-2H3;1H,(H2,2,3)/b15-11+,19-7+;;
InChIKeyOSDMZQVUABRGQH-MTZXMMBPSA-N
MW586.73 g/mol
LogP2.80
Rot. Bonds12

About (E)-N'-[1-[[5-ethenyl-4-[(E)-4-hydroxy-5-methylhex-2-en-3-yl]-1H-imidazol-2-yl]methyl]-2-oxo-3-pyridinyl]-N,N-dimethylhept-2-enediamide;formamide;methoxymethane

(E)-N'-[1-[[5-ethenyl-4-[(E)-4-hydroxy-5-methylhex-2-en-3-yl]-1H-imidazol-2-yl]methyl]-2-oxo-3-pyridinyl]-N,N-dimethylhept-2-enediamide;formamide;methoxymethane (PubChem CID 153403095) has the molecular formula C30H46N6O6 and a molecular weight of 586.73 g/mol. Its IUPAC name is (E)-N'-[1-[[5-ethenyl-4-[(E)-4-hydroxy-5-methylhex-2-en-3-yl]-1H-imidazol-2-yl]methyl]-2-oxo-3-pyridinyl]-N,N-dimethylhept-2-enediamide;formamide;methoxymethane.

Molecular Properties

Compound Name(E)-N'-[1-[[5-ethenyl-4-[(E)-4-hydroxy-5-methylhex-2-en-3-yl]-1H-imidazol-2-yl]methyl]-2-oxo-3-pyridinyl]-N,N-dimethylhept-2-enediamide;formamide;methoxymethane
PubChem CID153403095
Molecular FormulaC30H46N6O6
Molecular Weight586.73 g/mol
Exact Mass586.35
IUPAC Name(E)-N'-[1-[[5-ethenyl-4-[(E)-4-hydroxy-5-methylhex-2-en-3-yl]-1H-imidazol-2-yl]methyl]-2-oxo-3-pyridinyl]-N,N-dimethylhept-2-enediamide;formamide;methoxymethane
SMILESC=Cc1[nH]c(Cn2cccc(NC(=O)CCC/C=C/C(=O)N(C)C)c2=O)nc1/C(=C\C)C(O)C(C)C.COC.NC=O
InChIInChI=1S/C27H37N5O4.C2H6O.CH3NO/c1-7-19(26(35)18(3)4)25-20(8-2)28-22(30-25)17-32-16-12-13-21(27(32)36)29-23(33)14-10-9-11-15-24(34)31(5)6;1-3-2;2-1-3/h7-8,11-13,15-16,18,26,35H,2,9-10,14,17H2,1,3-6H3,(H,28,30)(H,29,33);1-2H3;1H,(H2,2,3)/b15-11+,19-7+;;
InChIKeyOSDMZQVUABRGQH-MTZXMMBPSA-N
XLogP2.80
TPSA172.64 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500586.73
LogP ≤ 52.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N'-[1-[[5-ethenyl-4-[(E)-4-hydroxy-5-methylhex-2-en-3-yl]-1H-imidazol-2-yl]methyl]-2-oxo-3-pyridinyl]-N,N-dimethylhept-2-enediamide;formamide;methoxymethane?
The IUPAC name of (E)-N'-[1-[[5-ethenyl-4-[(E)-4-hydroxy-5-methylhex-2-en-3-yl]-1H-imidazol-2-yl]methyl]-2-oxo-3-pyridinyl]-N,N-dimethylhept-2-enediamide;formamide;methoxymethane (CID 153403095) is (E)-N'-[1-[[5-ethenyl-4-[(E)-4-hydroxy-5-methylhex-2-en-3-yl]-1H-imidazol-2-yl]methyl]-2-oxo-3-pyridinyl]-N,N-dimethylhept-2-enediamide;formamide;methoxymethane.
What is the SMILES notation for (E)-N'-[1-[[5-ethenyl-4-[(E)-4-hydroxy-5-methylhex-2-en-3-yl]-1H-imidazol-2-yl]methyl]-2-oxo-3-pyridinyl]-N,N-dimethylhept-2-enediamide;formamide;methoxymethane?
The canonical SMILES for (E)-N'-[1-[[5-ethenyl-4-[(E)-4-hydroxy-5-methylhex-2-en-3-yl]-1H-imidazol-2-yl]methyl]-2-oxo-3-pyridinyl]-N,N-dimethylhept-2-enediamide;formamide;methoxymethane is C=Cc1[nH]c(Cn2cccc(NC(=O)CCC/C=C/C(=O)N(C)C)c2=O)nc1/C(=C\C)C(O)C(C)C.COC.NC=O.
What is the InChIKey of (E)-N'-[1-[[5-ethenyl-4-[(E)-4-hydroxy-5-methylhex-2-en-3-yl]-1H-imidazol-2-yl]methyl]-2-oxo-3-pyridinyl]-N,N-dimethylhept-2-enediamide;formamide;methoxymethane?
The InChIKey is OSDMZQVUABRGQH-MTZXMMBPSA-N. The full InChI is InChI=1S/C27H37N5O4.C2H6O.CH3NO/c1-7-19(26(35)18(3)4)25-20(8-2)28-22(30-25)17-32-16-12-13-21(27(32)36)29-23(33)14-10-9-11-15-24(34)31(5)6;1-3-2;2-1-3/h7-8,11-13,15-16,18,26,35H,2,9-10,14,17H2,1,3-6H3,(H,28,30)(H,29,33);1-2H3;1H,(H2,2,3)/b15-11+,19-7+;;.
What are the key properties of (E)-N'-[1-[[5-ethenyl-4-[(E)-4-hydroxy-5-methylhex-2-en-3-yl]-1H-imidazol-2-yl]methyl]-2-oxo-3-pyridinyl]-N,N-dimethylhept-2-enediamide;formamide;methoxymethane?
(E)-N'-[1-[[5-ethenyl-4-[(E)-4-hydroxy-5-methylhex-2-en-3-yl]-1H-imidazol-2-yl]methyl]-2-oxo-3-pyridinyl]-N,N-dimethylhept-2-enediamide;formamide;methoxymethane has a molecular weight of 586.73 g/mol, XLogP of 2.80, 12 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-[1-[[5-ethenyl-4-[(E)-4-hydroxy-5-methylhex-2-en-3-yl]-1H-imidazol-2-yl]methyl]-2-oxo-3-pyridinyl]-N,N-dimethylhept-2-enediamide;formamide;methoxymethane is sourced from PubChem (CID 153403095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).