N-[(1E,3E,5R,6R)-6-hydroxy-3,5,8-trimethylnona-1,3,8-trienyl]-3-methylbut-2-enamide

C17H27NO2 — CID 155236141

IUPACN-[(1E,3E,5R,6R)-6-hydroxy-3,5,8-trimethylnona-1,3,8-trienyl]-3-methylbut-2-enamide
SMILESC=C(C)C[C@@H](O)[C@H](C)/C=C(C)/C=C/NC(=O)C=C(C)C
InChIInChI=1S/C17H27NO2/c1-12(2)9-16(19)15(6)11-14(5)7-8-18-17(20)10-13(3)4/h7-8,10-11,15-16,19H,1,9H2,2-6H3,(H,18,20)/b8-7+,14-11+/t15-,16-/m1/s1
InChIKeyOAMNGQPIUWRHEG-QGPIPUNGSA-N
MW277.41 g/mol
LogP3.49
Rot. Bonds7

About N-[(1E,3E,5R,6R)-6-hydroxy-3,5,8-trimethylnona-1,3,8-trienyl]-3-methylbut-2-enamide

N-[(1E,3E,5R,6R)-6-hydroxy-3,5,8-trimethylnona-1,3,8-trienyl]-3-methylbut-2-enamide (PubChem CID 155236141) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[(1E,3E,5R,6R)-6-hydroxy-3,5,8-trimethylnona-1,3,8-trienyl]-3-methylbut-2-enamide.

Molecular Properties

Compound NameN-[(1E,3E,5R,6R)-6-hydroxy-3,5,8-trimethylnona-1,3,8-trienyl]-3-methylbut-2-enamide
PubChem CID155236141
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-[(1E,3E,5R,6R)-6-hydroxy-3,5,8-trimethylnona-1,3,8-trienyl]-3-methylbut-2-enamide
SMILESC=C(C)C[C@@H](O)[C@H](C)/C=C(C)/C=C/NC(=O)C=C(C)C
InChIInChI=1S/C17H27NO2/c1-12(2)9-16(19)15(6)11-14(5)7-8-18-17(20)10-13(3)4/h7-8,10-11,15-16,19H,1,9H2,2-6H3,(H,18,20)/b8-7+,14-11+/t15-,16-/m1/s1
InChIKeyOAMNGQPIUWRHEG-QGPIPUNGSA-N
XLogP3.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.49
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'}

Analyze N-[(1E,3E,5R,6R)-6-hydroxy-3,5,8-trimethylnona-1,3,8-trienyl]-3-methylbut-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1E,3E,5R,6R)-6-hydroxy-3,5,8-trimethylnona-1,3,8-trienyl]-3-methylbut-2-enamide?
The IUPAC name of N-[(1E,3E,5R,6R)-6-hydroxy-3,5,8-trimethylnona-1,3,8-trienyl]-3-methylbut-2-enamide (CID 155236141) is N-[(1E,3E,5R,6R)-6-hydroxy-3,5,8-trimethylnona-1,3,8-trienyl]-3-methylbut-2-enamide.
What is the SMILES notation for N-[(1E,3E,5R,6R)-6-hydroxy-3,5,8-trimethylnona-1,3,8-trienyl]-3-methylbut-2-enamide?
The canonical SMILES for N-[(1E,3E,5R,6R)-6-hydroxy-3,5,8-trimethylnona-1,3,8-trienyl]-3-methylbut-2-enamide is C=C(C)C[C@@H](O)[C@H](C)/C=C(C)/C=C/NC(=O)C=C(C)C.
What is the InChIKey of N-[(1E,3E,5R,6R)-6-hydroxy-3,5,8-trimethylnona-1,3,8-trienyl]-3-methylbut-2-enamide?
The InChIKey is OAMNGQPIUWRHEG-QGPIPUNGSA-N. The full InChI is InChI=1S/C17H27NO2/c1-12(2)9-16(19)15(6)11-14(5)7-8-18-17(20)10-13(3)4/h7-8,10-11,15-16,19H,1,9H2,2-6H3,(H,18,20)/b8-7+,14-11+/t15-,16-/m1/s1.
What are the key properties of N-[(1E,3E,5R,6R)-6-hydroxy-3,5,8-trimethylnona-1,3,8-trienyl]-3-methylbut-2-enamide?
N-[(1E,3E,5R,6R)-6-hydroxy-3,5,8-trimethylnona-1,3,8-trienyl]-3-methylbut-2-enamide has a molecular weight of 277.41 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,3E,5R,6R)-6-hydroxy-3,5,8-trimethylnona-1,3,8-trienyl]-3-methylbut-2-enamide is sourced from PubChem (CID 155236141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).