(2Z,4E,5Z)-2-acetamido-N-[1-(dimethylamino)propan-2-yl]-4-ethylideneocta-2,5,7-trienamide

C17H27N3O2 — CID 143326005

IUPAC(2Z,4E,5Z)-2-acetamido-N-[1-(dimethylamino)propan-2-yl]-4-ethylideneocta-2,5,7-trienamide
SMILESC=C/C=C\C(\C=C(/NC(C)=O)C(=O)NC(C)CN(C)C)=C/C
InChIInChI=1S/C17H27N3O2/c1-7-9-10-15(8-2)11-16(19-14(4)21)17(22)18-13(3)12-20(5)6/h7-11,13H,1,12H2,2-6H3,(H,18,22)(H,19,21)/b10-9-,15-8+,16-11-
InChIKeyMOTZMTDNISNISI-XRILXOCSSA-N
MW305.42 g/mol
LogP1.76
Rot. Bonds8

About (2Z,4E,5Z)-2-acetamido-N-[1-(dimethylamino)propan-2-yl]-4-ethylideneocta-2,5,7-trienamide

(2Z,4E,5Z)-2-acetamido-N-[1-(dimethylamino)propan-2-yl]-4-ethylideneocta-2,5,7-trienamide (PubChem CID 143326005) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is (2Z,4E,5Z)-2-acetamido-N-[1-(dimethylamino)propan-2-yl]-4-ethylideneocta-2,5,7-trienamide.

Molecular Properties

Compound Name(2Z,4E,5Z)-2-acetamido-N-[1-(dimethylamino)propan-2-yl]-4-ethylideneocta-2,5,7-trienamide
PubChem CID143326005
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name(2Z,4E,5Z)-2-acetamido-N-[1-(dimethylamino)propan-2-yl]-4-ethylideneocta-2,5,7-trienamide
SMILESC=C/C=C\C(\C=C(/NC(C)=O)C(=O)NC(C)CN(C)C)=C/C
InChIInChI=1S/C17H27N3O2/c1-7-9-10-15(8-2)11-16(19-14(4)21)17(22)18-13(3)12-20(5)6/h7-11,13H,1,12H2,2-6H3,(H,18,22)(H,19,21)/b10-9-,15-8+,16-11-
InChIKeyMOTZMTDNISNISI-XRILXOCSSA-N
XLogP1.76
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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,5Z)-2-acetamido-N-[1-(dimethylamino)propan-2-yl]-4-ethylideneocta-2,5,7-trienamide?
The IUPAC name of (2Z,4E,5Z)-2-acetamido-N-[1-(dimethylamino)propan-2-yl]-4-ethylideneocta-2,5,7-trienamide (CID 143326005) is (2Z,4E,5Z)-2-acetamido-N-[1-(dimethylamino)propan-2-yl]-4-ethylideneocta-2,5,7-trienamide.
What is the SMILES notation for (2Z,4E,5Z)-2-acetamido-N-[1-(dimethylamino)propan-2-yl]-4-ethylideneocta-2,5,7-trienamide?
The canonical SMILES for (2Z,4E,5Z)-2-acetamido-N-[1-(dimethylamino)propan-2-yl]-4-ethylideneocta-2,5,7-trienamide is C=C/C=C\C(\C=C(/NC(C)=O)C(=O)NC(C)CN(C)C)=C/C.
What is the InChIKey of (2Z,4E,5Z)-2-acetamido-N-[1-(dimethylamino)propan-2-yl]-4-ethylideneocta-2,5,7-trienamide?
The InChIKey is MOTZMTDNISNISI-XRILXOCSSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-7-9-10-15(8-2)11-16(19-14(4)21)17(22)18-13(3)12-20(5)6/h7-11,13H,1,12H2,2-6H3,(H,18,22)(H,19,21)/b10-9-,15-8+,16-11-.
What are the key properties of (2Z,4E,5Z)-2-acetamido-N-[1-(dimethylamino)propan-2-yl]-4-ethylideneocta-2,5,7-trienamide?
(2Z,4E,5Z)-2-acetamido-N-[1-(dimethylamino)propan-2-yl]-4-ethylideneocta-2,5,7-trienamide has a molecular weight of 305.42 g/mol, XLogP of 1.76, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E,5Z)-2-acetamido-N-[1-(dimethylamino)propan-2-yl]-4-ethylideneocta-2,5,7-trienamide is sourced from PubChem (CID 143326005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).