(2Z,4E)-N'-ethyl-N'-[3-[ethyl(prop-2-enoyl)amino]propyl]-N-methyl-N-[3-[methyl(prop-2-enoyl)amino]propyl]hexa-2,4-dienediamide

C24H38N4O4 — CID 135296269

IUPAC(2Z,4E)-N'-ethyl-N'-[3-[ethyl(prop-2-enoyl)amino]propyl]-N-methyl-N-[3-[methyl(prop-2-enoyl)amino]propyl]hexa-2,4-dienediamide
SMILESC=CC(=O)N(C)CCCN(C)C(=O)/C=C\C=C\C(=O)N(CC)CCCN(CC)C(=O)C=C
InChIInChI=1S/C24H38N4O4/c1-7-21(29)25(5)17-13-18-26(6)23(31)15-11-12-16-24(32)28(10-4)20-14-19-27(9-3)22(30)8-2/h7-8,11-12,15-16H,1-2,9-10,13-14,17-20H2,3-6H3/b15-11-,16-12+
InChIKeyGQSLMLIQOJZJMV-UKVBVZPVSA-N
MW446.59 g/mol
LogP1.86
Rot. Bonds15

About (2Z,4E)-N'-ethyl-N'-[3-[ethyl(prop-2-enoyl)amino]propyl]-N-methyl-N-[3-[methyl(prop-2-enoyl)amino]propyl]hexa-2,4-dienediamide

(2Z,4E)-N'-ethyl-N'-[3-[ethyl(prop-2-enoyl)amino]propyl]-N-methyl-N-[3-[methyl(prop-2-enoyl)amino]propyl]hexa-2,4-dienediamide (PubChem CID 135296269) has the molecular formula C24H38N4O4 and a molecular weight of 446.59 g/mol. Its IUPAC name is (2Z,4E)-N'-ethyl-N'-[3-[ethyl(prop-2-enoyl)amino]propyl]-N-methyl-N-[3-[methyl(prop-2-enoyl)amino]propyl]hexa-2,4-dienediamide.

Molecular Properties

Compound Name(2Z,4E)-N'-ethyl-N'-[3-[ethyl(prop-2-enoyl)amino]propyl]-N-methyl-N-[3-[methyl(prop-2-enoyl)amino]propyl]hexa-2,4-dienediamide
PubChem CID135296269
Molecular FormulaC24H38N4O4
Molecular Weight446.59 g/mol
Exact Mass446.29
IUPAC Name(2Z,4E)-N'-ethyl-N'-[3-[ethyl(prop-2-enoyl)amino]propyl]-N-methyl-N-[3-[methyl(prop-2-enoyl)amino]propyl]hexa-2,4-dienediamide
SMILESC=CC(=O)N(C)CCCN(C)C(=O)/C=C\C=C\C(=O)N(CC)CCCN(CC)C(=O)C=C
InChIInChI=1S/C24H38N4O4/c1-7-21(29)25(5)17-13-18-26(6)23(31)15-11-12-16-24(32)28(10-4)20-14-19-27(9-3)22(30)8-2/h7-8,11-12,15-16H,1-2,9-10,13-14,17-20H2,3-6H3/b15-11-,16-12+
InChIKeyGQSLMLIQOJZJMV-UKVBVZPVSA-N
XLogP1.86
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.59
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 (2Z,4E)-N'-ethyl-N'-[3-[ethyl(prop-2-enoyl)amino]propyl]-N-methyl-N-[3-[methyl(prop-2-enoyl)amino]propyl]hexa-2,4-dienediamide?
The IUPAC name of (2Z,4E)-N'-ethyl-N'-[3-[ethyl(prop-2-enoyl)amino]propyl]-N-methyl-N-[3-[methyl(prop-2-enoyl)amino]propyl]hexa-2,4-dienediamide (CID 135296269) is (2Z,4E)-N'-ethyl-N'-[3-[ethyl(prop-2-enoyl)amino]propyl]-N-methyl-N-[3-[methyl(prop-2-enoyl)amino]propyl]hexa-2,4-dienediamide.
What is the SMILES notation for (2Z,4E)-N'-ethyl-N'-[3-[ethyl(prop-2-enoyl)amino]propyl]-N-methyl-N-[3-[methyl(prop-2-enoyl)amino]propyl]hexa-2,4-dienediamide?
The canonical SMILES for (2Z,4E)-N'-ethyl-N'-[3-[ethyl(prop-2-enoyl)amino]propyl]-N-methyl-N-[3-[methyl(prop-2-enoyl)amino]propyl]hexa-2,4-dienediamide is C=CC(=O)N(C)CCCN(C)C(=O)/C=C\C=C\C(=O)N(CC)CCCN(CC)C(=O)C=C.
What is the InChIKey of (2Z,4E)-N'-ethyl-N'-[3-[ethyl(prop-2-enoyl)amino]propyl]-N-methyl-N-[3-[methyl(prop-2-enoyl)amino]propyl]hexa-2,4-dienediamide?
The InChIKey is GQSLMLIQOJZJMV-UKVBVZPVSA-N. The full InChI is InChI=1S/C24H38N4O4/c1-7-21(29)25(5)17-13-18-26(6)23(31)15-11-12-16-24(32)28(10-4)20-14-19-27(9-3)22(30)8-2/h7-8,11-12,15-16H,1-2,9-10,13-14,17-20H2,3-6H3/b15-11-,16-12+.
What are the key properties of (2Z,4E)-N'-ethyl-N'-[3-[ethyl(prop-2-enoyl)amino]propyl]-N-methyl-N-[3-[methyl(prop-2-enoyl)amino]propyl]hexa-2,4-dienediamide?
(2Z,4E)-N'-ethyl-N'-[3-[ethyl(prop-2-enoyl)amino]propyl]-N-methyl-N-[3-[methyl(prop-2-enoyl)amino]propyl]hexa-2,4-dienediamide has a molecular weight of 446.59 g/mol, XLogP of 1.86, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-N'-ethyl-N'-[3-[ethyl(prop-2-enoyl)amino]propyl]-N-methyl-N-[3-[methyl(prop-2-enoyl)amino]propyl]hexa-2,4-dienediamide is sourced from PubChem (CID 135296269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).