(2E,3Z,6E,8Z)-N-[(Z)-7-amino-4-ethyl-3-methylidenehept-6-enyl]-6-ethenyl-2-ethylidene-3-methyl-5-methylidenedeca-3,6,8-trienamide

C26H38N2O — CID 89202745

IUPAC(2E,3Z,6E,8Z)-N-[(Z)-7-amino-4-ethyl-3-methylidenehept-6-enyl]-6-ethenyl-2-ethylidene-3-methyl-5-methylidenedeca-3,6,8-trienamide
SMILESC=C/C(=C\C=C/C)C(=C)/C=C(C)\C(=C/C)C(=O)NCCC(=C)C(CC)C/C=C\N
InChIInChI=1S/C26H38N2O/c1-8-12-14-24(10-3)21(6)19-22(7)25(11-4)26(29)28-18-16-20(5)23(9-2)15-13-17-27/h8,10-14,17,19,23H,3,5-6,9,15-16,18,27H2,1-2,4,7H3,(H,28,29)/b12-8-,17-13-,22-19-,24-14+,25-11+
InChIKeyZRIKNVQWFWUIAV-CYPMZWQKSA-N
MW394.60 g/mol
LogP6.07
Rot. Bonds13

About (2E,3Z,6E,8Z)-N-[(Z)-7-amino-4-ethyl-3-methylidenehept-6-enyl]-6-ethenyl-2-ethylidene-3-methyl-5-methylidenedeca-3,6,8-trienamide

(2E,3Z,6E,8Z)-N-[(Z)-7-amino-4-ethyl-3-methylidenehept-6-enyl]-6-ethenyl-2-ethylidene-3-methyl-5-methylidenedeca-3,6,8-trienamide (PubChem CID 89202745) has the molecular formula C26H38N2O and a molecular weight of 394.60 g/mol. Its IUPAC name is (2E,3Z,6E,8Z)-N-[(Z)-7-amino-4-ethyl-3-methylidenehept-6-enyl]-6-ethenyl-2-ethylidene-3-methyl-5-methylidenedeca-3,6,8-trienamide.

Molecular Properties

Compound Name(2E,3Z,6E,8Z)-N-[(Z)-7-amino-4-ethyl-3-methylidenehept-6-enyl]-6-ethenyl-2-ethylidene-3-methyl-5-methylidenedeca-3,6,8-trienamide
PubChem CID89202745
Molecular FormulaC26H38N2O
Molecular Weight394.60 g/mol
Exact Mass394.30
IUPAC Name(2E,3Z,6E,8Z)-N-[(Z)-7-amino-4-ethyl-3-methylidenehept-6-enyl]-6-ethenyl-2-ethylidene-3-methyl-5-methylidenedeca-3,6,8-trienamide
SMILESC=C/C(=C\C=C/C)C(=C)/C=C(C)\C(=C/C)C(=O)NCCC(=C)C(CC)C/C=C\N
InChIInChI=1S/C26H38N2O/c1-8-12-14-24(10-3)21(6)19-22(7)25(11-4)26(29)28-18-16-20(5)23(9-2)15-13-17-27/h8,10-14,17,19,23H,3,5-6,9,15-16,18,27H2,1-2,4,7H3,(H,28,29)/b12-8-,17-13-,22-19-,24-14+,25-11+
InChIKeyZRIKNVQWFWUIAV-CYPMZWQKSA-N
XLogP6.07
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.60
LogP ≤ 56.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,3Z,6E,8Z)-N-[(Z)-7-amino-4-ethyl-3-methylidenehept-6-enyl]-6-ethenyl-2-ethylidene-3-methyl-5-methylidenedeca-3,6,8-trienamide?
The IUPAC name of (2E,3Z,6E,8Z)-N-[(Z)-7-amino-4-ethyl-3-methylidenehept-6-enyl]-6-ethenyl-2-ethylidene-3-methyl-5-methylidenedeca-3,6,8-trienamide (CID 89202745) is (2E,3Z,6E,8Z)-N-[(Z)-7-amino-4-ethyl-3-methylidenehept-6-enyl]-6-ethenyl-2-ethylidene-3-methyl-5-methylidenedeca-3,6,8-trienamide.
What is the SMILES notation for (2E,3Z,6E,8Z)-N-[(Z)-7-amino-4-ethyl-3-methylidenehept-6-enyl]-6-ethenyl-2-ethylidene-3-methyl-5-methylidenedeca-3,6,8-trienamide?
The canonical SMILES for (2E,3Z,6E,8Z)-N-[(Z)-7-amino-4-ethyl-3-methylidenehept-6-enyl]-6-ethenyl-2-ethylidene-3-methyl-5-methylidenedeca-3,6,8-trienamide is C=C/C(=C\C=C/C)C(=C)/C=C(C)\C(=C/C)C(=O)NCCC(=C)C(CC)C/C=C\N.
What is the InChIKey of (2E,3Z,6E,8Z)-N-[(Z)-7-amino-4-ethyl-3-methylidenehept-6-enyl]-6-ethenyl-2-ethylidene-3-methyl-5-methylidenedeca-3,6,8-trienamide?
The InChIKey is ZRIKNVQWFWUIAV-CYPMZWQKSA-N. The full InChI is InChI=1S/C26H38N2O/c1-8-12-14-24(10-3)21(6)19-22(7)25(11-4)26(29)28-18-16-20(5)23(9-2)15-13-17-27/h8,10-14,17,19,23H,3,5-6,9,15-16,18,27H2,1-2,4,7H3,(H,28,29)/b12-8-,17-13-,22-19-,24-14+,25-11+.
What are the key properties of (2E,3Z,6E,8Z)-N-[(Z)-7-amino-4-ethyl-3-methylidenehept-6-enyl]-6-ethenyl-2-ethylidene-3-methyl-5-methylidenedeca-3,6,8-trienamide?
(2E,3Z,6E,8Z)-N-[(Z)-7-amino-4-ethyl-3-methylidenehept-6-enyl]-6-ethenyl-2-ethylidene-3-methyl-5-methylidenedeca-3,6,8-trienamide has a molecular weight of 394.60 g/mol, XLogP of 6.07, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z,6E,8Z)-N-[(Z)-7-amino-4-ethyl-3-methylidenehept-6-enyl]-6-ethenyl-2-ethylidene-3-methyl-5-methylidenedeca-3,6,8-trienamide is sourced from PubChem (CID 89202745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).