(2E,4E)-N-[(2S)-2-amino-4-hydroxybutyl]-5,9-dimethyldeca-2,4,8-trienamide

C16H28N2O2 — CID 44561419

IUPAC(2E,4E)-N-[(2S)-2-amino-4-hydroxybutyl]-5,9-dimethyldeca-2,4,8-trienamide
SMILESCC(C)=CCC/C(C)=C/C=C/C(=O)NC[C@@H](N)CCO
InChIInChI=1S/C16H28N2O2/c1-13(2)6-4-7-14(3)8-5-9-16(20)18-12-15(17)10-11-19/h5-6,8-9,15,19H,4,7,10-12,17H2,1-3H3,(H,18,20)/b9-5+,14-8+/t15-/m0/s1
InChIKeyDYDZAFPFZIJXKB-YWIVNKPASA-N
MW280.41 g/mol
LogP2.06
Rot. Bonds9

About (2E,4E)-N-[(2S)-2-amino-4-hydroxybutyl]-5,9-dimethyldeca-2,4,8-trienamide

(2E,4E)-N-[(2S)-2-amino-4-hydroxybutyl]-5,9-dimethyldeca-2,4,8-trienamide (PubChem CID 44561419) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is (2E,4E)-N-[(2S)-2-amino-4-hydroxybutyl]-5,9-dimethyldeca-2,4,8-trienamide.

Molecular Properties

Compound Name(2E,4E)-N-[(2S)-2-amino-4-hydroxybutyl]-5,9-dimethyldeca-2,4,8-trienamide
PubChem CID44561419
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name(2E,4E)-N-[(2S)-2-amino-4-hydroxybutyl]-5,9-dimethyldeca-2,4,8-trienamide
SMILESCC(C)=CCC/C(C)=C/C=C/C(=O)NC[C@@H](N)CCO
InChIInChI=1S/C16H28N2O2/c1-13(2)6-4-7-14(3)8-5-9-16(20)18-12-15(17)10-11-19/h5-6,8-9,15,19H,4,7,10-12,17H2,1-3H3,(H,18,20)/b9-5+,14-8+/t15-/m0/s1
InChIKeyDYDZAFPFZIJXKB-YWIVNKPASA-N
XLogP2.06
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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,4E)-N-[(2S)-2-amino-4-hydroxybutyl]-5,9-dimethyldeca-2,4,8-trienamide?
The IUPAC name of (2E,4E)-N-[(2S)-2-amino-4-hydroxybutyl]-5,9-dimethyldeca-2,4,8-trienamide (CID 44561419) is (2E,4E)-N-[(2S)-2-amino-4-hydroxybutyl]-5,9-dimethyldeca-2,4,8-trienamide.
What is the SMILES notation for (2E,4E)-N-[(2S)-2-amino-4-hydroxybutyl]-5,9-dimethyldeca-2,4,8-trienamide?
The canonical SMILES for (2E,4E)-N-[(2S)-2-amino-4-hydroxybutyl]-5,9-dimethyldeca-2,4,8-trienamide is CC(C)=CCC/C(C)=C/C=C/C(=O)NC[C@@H](N)CCO.
What is the InChIKey of (2E,4E)-N-[(2S)-2-amino-4-hydroxybutyl]-5,9-dimethyldeca-2,4,8-trienamide?
The InChIKey is DYDZAFPFZIJXKB-YWIVNKPASA-N. The full InChI is InChI=1S/C16H28N2O2/c1-13(2)6-4-7-14(3)8-5-9-16(20)18-12-15(17)10-11-19/h5-6,8-9,15,19H,4,7,10-12,17H2,1-3H3,(H,18,20)/b9-5+,14-8+/t15-/m0/s1.
What are the key properties of (2E,4E)-N-[(2S)-2-amino-4-hydroxybutyl]-5,9-dimethyldeca-2,4,8-trienamide?
(2E,4E)-N-[(2S)-2-amino-4-hydroxybutyl]-5,9-dimethyldeca-2,4,8-trienamide has a molecular weight of 280.41 g/mol, XLogP of 2.06, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-[(2S)-2-amino-4-hydroxybutyl]-5,9-dimethyldeca-2,4,8-trienamide is sourced from PubChem (CID 44561419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).