(E)-4-(ethylideneamino)-N-[6-[[(E)-4-iminohex-2-en-3-yl]amino]-6-oxohexyl]-5-methyl-2-methylidenehex-3-enamide

C22H36N4O2 — CID 90708048

IUPAC(E)-4-(ethylideneamino)-N-[6-[[(E)-4-iminohex-2-en-3-yl]amino]-6-oxohexyl]-5-methyl-2-methylidenehex-3-enamide
SMILES[H]/N=C(CC)/C(=C\C)NC(=O)CCCCCNC(=O)C(=C)/C=C(/N=C/C)C(C)C
InChIInChI=1S/C22H36N4O2/c1-7-18(23)19(8-2)26-21(27)13-11-10-12-14-25-22(28)17(6)15-20(16(4)5)24-9-3/h8-9,15-16,23H,6-7,10-14H2,1-5H3,(H,25,28)(H,26,27)/b19-8+,20-15+,23-18+,24-9+
InChIKeyGWMCYONIMAZEQH-YPBDDWQESA-N
MW388.56 g/mol
LogP4.30
Rot. Bonds13

About (E)-4-(ethylideneamino)-N-[6-[[(E)-4-iminohex-2-en-3-yl]amino]-6-oxohexyl]-5-methyl-2-methylidenehex-3-enamide

(E)-4-(ethylideneamino)-N-[6-[[(E)-4-iminohex-2-en-3-yl]amino]-6-oxohexyl]-5-methyl-2-methylidenehex-3-enamide (PubChem CID 90708048) has the molecular formula C22H36N4O2 and a molecular weight of 388.56 g/mol. Its IUPAC name is (E)-4-(ethylideneamino)-N-[6-[[(E)-4-iminohex-2-en-3-yl]amino]-6-oxohexyl]-5-methyl-2-methylidenehex-3-enamide.

Molecular Properties

Compound Name(E)-4-(ethylideneamino)-N-[6-[[(E)-4-iminohex-2-en-3-yl]amino]-6-oxohexyl]-5-methyl-2-methylidenehex-3-enamide
PubChem CID90708048
Molecular FormulaC22H36N4O2
Molecular Weight388.56 g/mol
Exact Mass388.28
IUPAC Name(E)-4-(ethylideneamino)-N-[6-[[(E)-4-iminohex-2-en-3-yl]amino]-6-oxohexyl]-5-methyl-2-methylidenehex-3-enamide
SMILES[H]/N=C(CC)/C(=C\C)NC(=O)CCCCCNC(=O)C(=C)/C=C(/N=C/C)C(C)C
InChIInChI=1S/C22H36N4O2/c1-7-18(23)19(8-2)26-21(27)13-11-10-12-14-25-22(28)17(6)15-20(16(4)5)24-9-3/h8-9,15-16,23H,6-7,10-14H2,1-5H3,(H,25,28)(H,26,27)/b19-8+,20-15+,23-18+,24-9+
InChIKeyGWMCYONIMAZEQH-YPBDDWQESA-N
XLogP4.30
TPSA94.41 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.56
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

7-(2-methylprop-2-enoylamino)-N-propan-2-ylheptanamide
CID 88906929
N-(2-methylpropanoyl)heptanamide
CID 150179955
7-methyl-N-[7-[(7-methyl-6-oxooctanoyl)amino]heptyl]-6-oxooctanamide
CID 170246304
2-methyl-N-(6-oxooct-7-enyl)propanamide
CID 58298973
N-(2-methylprop-2-enoyl)heptadecanamide
CID 91422335
N-hexyl-7-methyl-6-oxooctanamide
CID 145408132
N-[7-(pentanoylamino)heptyl]pentanamide
CID 4139658
11-(propanoylamino)undecanamide
CID 89244012
7-methyl-N-[6-[(7-methyl-6-oxooctanoyl)amino]hexyl]-6-oxooctanamide;molecular hydrogen
CID 145408102
2-imino-3-methyl-N-(4-oxobutyl)butanamide
CID 143685518
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-nonyltridecanamide
CID 154228217

Frequently Asked Questions

What is the IUPAC name of (E)-4-(ethylideneamino)-N-[6-[[(E)-4-iminohex-2-en-3-yl]amino]-6-oxohexyl]-5-methyl-2-methylidenehex-3-enamide?
The IUPAC name of (E)-4-(ethylideneamino)-N-[6-[[(E)-4-iminohex-2-en-3-yl]amino]-6-oxohexyl]-5-methyl-2-methylidenehex-3-enamide (CID 90708048) is (E)-4-(ethylideneamino)-N-[6-[[(E)-4-iminohex-2-en-3-yl]amino]-6-oxohexyl]-5-methyl-2-methylidenehex-3-enamide.
What is the SMILES notation for (E)-4-(ethylideneamino)-N-[6-[[(E)-4-iminohex-2-en-3-yl]amino]-6-oxohexyl]-5-methyl-2-methylidenehex-3-enamide?
The canonical SMILES for (E)-4-(ethylideneamino)-N-[6-[[(E)-4-iminohex-2-en-3-yl]amino]-6-oxohexyl]-5-methyl-2-methylidenehex-3-enamide is [H]/N=C(CC)/C(=C\C)NC(=O)CCCCCNC(=O)C(=C)/C=C(/N=C/C)C(C)C.
What is the InChIKey of (E)-4-(ethylideneamino)-N-[6-[[(E)-4-iminohex-2-en-3-yl]amino]-6-oxohexyl]-5-methyl-2-methylidenehex-3-enamide?
The InChIKey is GWMCYONIMAZEQH-YPBDDWQESA-N. The full InChI is InChI=1S/C22H36N4O2/c1-7-18(23)19(8-2)26-21(27)13-11-10-12-14-25-22(28)17(6)15-20(16(4)5)24-9-3/h8-9,15-16,23H,6-7,10-14H2,1-5H3,(H,25,28)(H,26,27)/b19-8+,20-15+,23-18+,24-9+.
What are the key properties of (E)-4-(ethylideneamino)-N-[6-[[(E)-4-iminohex-2-en-3-yl]amino]-6-oxohexyl]-5-methyl-2-methylidenehex-3-enamide?
(E)-4-(ethylideneamino)-N-[6-[[(E)-4-iminohex-2-en-3-yl]amino]-6-oxohexyl]-5-methyl-2-methylidenehex-3-enamide has a molecular weight of 388.56 g/mol, XLogP of 4.30, 13 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(ethylideneamino)-N-[6-[[(E)-4-iminohex-2-en-3-yl]amino]-6-oxohexyl]-5-methyl-2-methylidenehex-3-enamide is sourced from PubChem (CID 90708048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).