(2E,4E)-N-[(2R)-2-[[(2E,4E)-hexa-2,4-dienoyl]amino]-3-methylbutyl]hexa-2,4-dienamide

C17H26N2O2 — CID 97213774

IUPAC(2E,4E)-N-[(2R)-2-[[(2E,4E)-hexa-2,4-dienoyl]amino]-3-methylbutyl]hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)NC[C@H](NC(=O)/C=C/C=C/C)C(C)C
InChIInChI=1S/C17H26N2O2/c1-5-7-9-11-16(20)18-13-15(14(3)4)19-17(21)12-10-8-6-2/h5-12,14-15H,13H2,1-4H3,(H,18,20)(H,19,21)/b7-5+,8-6+,11-9+,12-10+/t15-/m0/s1
InChIKeySNAXILXDHRHUIM-XSWYPGFRSA-N
MW290.41 g/mol
LogP2.51
Rot. Bonds8

About (2E,4E)-N-[(2R)-2-[[(2E,4E)-hexa-2,4-dienoyl]amino]-3-methylbutyl]hexa-2,4-dienamide

(2E,4E)-N-[(2R)-2-[[(2E,4E)-hexa-2,4-dienoyl]amino]-3-methylbutyl]hexa-2,4-dienamide (PubChem CID 97213774) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (2E,4E)-N-[(2R)-2-[[(2E,4E)-hexa-2,4-dienoyl]amino]-3-methylbutyl]hexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-[(2R)-2-[[(2E,4E)-hexa-2,4-dienoyl]amino]-3-methylbutyl]hexa-2,4-dienamide
PubChem CID97213774
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name(2E,4E)-N-[(2R)-2-[[(2E,4E)-hexa-2,4-dienoyl]amino]-3-methylbutyl]hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)NC[C@H](NC(=O)/C=C/C=C/C)C(C)C
InChIInChI=1S/C17H26N2O2/c1-5-7-9-11-16(20)18-13-15(14(3)4)19-17(21)12-10-8-6-2/h5-12,14-15H,13H2,1-4H3,(H,18,20)(H,19,21)/b7-5+,8-6+,11-9+,12-10+/t15-/m0/s1
InChIKeySNAXILXDHRHUIM-XSWYPGFRSA-N
XLogP2.51
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (2E,4E)-N-[(2R)-2-[[(2E,4E)-hexa-2,4-dienoyl]amino]-3-methylbutyl]hexa-2,4-dienamide?
The IUPAC name of (2E,4E)-N-[(2R)-2-[[(2E,4E)-hexa-2,4-dienoyl]amino]-3-methylbutyl]hexa-2,4-dienamide (CID 97213774) is (2E,4E)-N-[(2R)-2-[[(2E,4E)-hexa-2,4-dienoyl]amino]-3-methylbutyl]hexa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-[(2R)-2-[[(2E,4E)-hexa-2,4-dienoyl]amino]-3-methylbutyl]hexa-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-[(2R)-2-[[(2E,4E)-hexa-2,4-dienoyl]amino]-3-methylbutyl]hexa-2,4-dienamide is C/C=C/C=C/C(=O)NC[C@H](NC(=O)/C=C/C=C/C)C(C)C.
What is the InChIKey of (2E,4E)-N-[(2R)-2-[[(2E,4E)-hexa-2,4-dienoyl]amino]-3-methylbutyl]hexa-2,4-dienamide?
The InChIKey is SNAXILXDHRHUIM-XSWYPGFRSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-5-7-9-11-16(20)18-13-15(14(3)4)19-17(21)12-10-8-6-2/h5-12,14-15H,13H2,1-4H3,(H,18,20)(H,19,21)/b7-5+,8-6+,11-9+,12-10+/t15-/m0/s1.
What are the key properties of (2E,4E)-N-[(2R)-2-[[(2E,4E)-hexa-2,4-dienoyl]amino]-3-methylbutyl]hexa-2,4-dienamide?
(2E,4E)-N-[(2R)-2-[[(2E,4E)-hexa-2,4-dienoyl]amino]-3-methylbutyl]hexa-2,4-dienamide has a molecular weight of 290.41 g/mol, XLogP of 2.51, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-[(2R)-2-[[(2E,4E)-hexa-2,4-dienoyl]amino]-3-methylbutyl]hexa-2,4-dienamide is sourced from PubChem (CID 97213774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).