(E)-N-(3-hydroxypropyl)-5,5-dimethylhex-2-enamide

C11H21NO2 — CID 176757813

IUPAC(E)-N-(3-hydroxypropyl)-5,5-dimethylhex-2-enamide
SMILESCC(C)(C)C/C=C/C(=O)NCCCO
InChIInChI=1S/C11H21NO2/c1-11(2,3)7-4-6-10(14)12-8-5-9-13/h4,6,13H,5,7-9H2,1-3H3,(H,12,14)/b6-4+
InChIKeyLYZODGVMQBXJHM-GQCTYLIASA-N
MW199.29 g/mol
LogP1.48
Rot. Bonds5

About (E)-N-(3-hydroxypropyl)-5,5-dimethylhex-2-enamide

(E)-N-(3-hydroxypropyl)-5,5-dimethylhex-2-enamide (PubChem CID 176757813) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is (E)-N-(3-hydroxypropyl)-5,5-dimethylhex-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-hydroxypropyl)-5,5-dimethylhex-2-enamide
PubChem CID176757813
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name(E)-N-(3-hydroxypropyl)-5,5-dimethylhex-2-enamide
SMILESCC(C)(C)C/C=C/C(=O)NCCCO
InChIInChI=1S/C11H21NO2/c1-11(2,3)7-4-6-10(14)12-8-5-9-13/h4,6,13H,5,7-9H2,1-3H3,(H,12,14)/b6-4+
InChIKeyLYZODGVMQBXJHM-GQCTYLIASA-N
XLogP1.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E,4S)-4-hydroxy-N-(2-methylpropyl)hex-2-enamide
CID 12090207
(E,4R)-4-hydroxy-N-(2-methylpropyl)hex-2-enamide
CID 163044166
(2E,4E)-8-hydroxy-N-(2-methylpropyl)octa-2,4-dienamide
CID 134860994
(E,4R,5R)-5-hydroxy-4,6-dimethyl-N-prop-2-enylhept-2-enamide
CID 162410461
(2E,4E,8Z,11E)-N-(1-hydroxy-2-methylpropyl)tetradeca-2,4,8,11-tetraenamide
CID 5318234
(2E,4E)-9-hydroxy-N-isobutylnona-2,4-dienamide
CID 17996152
(E)-N-(3-methoxypropyl)-4,4-dimethylpent-2-enamide
CID 21060448
N-(3-hydroxypropyl)-3,7,11-trimethyldodeca-2,6,10-trienamide
CID 53823957
N-(3-hydroxypropyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide
CID 54423907
N-(3-hydroxypropyl)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenamide
CID 54543610
9-Hydroxy-N-(2-methylpropyl)nona-2,4-dienamide
CID 57346703
(Z)-5-hydroxy-N-propylpent-2-enamide
CID 59032704

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-hydroxypropyl)-5,5-dimethylhex-2-enamide?
The IUPAC name of (E)-N-(3-hydroxypropyl)-5,5-dimethylhex-2-enamide (CID 176757813) is (E)-N-(3-hydroxypropyl)-5,5-dimethylhex-2-enamide.
What is the SMILES notation for (E)-N-(3-hydroxypropyl)-5,5-dimethylhex-2-enamide?
The canonical SMILES for (E)-N-(3-hydroxypropyl)-5,5-dimethylhex-2-enamide is CC(C)(C)C/C=C/C(=O)NCCCO.
What is the InChIKey of (E)-N-(3-hydroxypropyl)-5,5-dimethylhex-2-enamide?
The InChIKey is LYZODGVMQBXJHM-GQCTYLIASA-N. The full InChI is InChI=1S/C11H21NO2/c1-11(2,3)7-4-6-10(14)12-8-5-9-13/h4,6,13H,5,7-9H2,1-3H3,(H,12,14)/b6-4+.
What are the key properties of (E)-N-(3-hydroxypropyl)-5,5-dimethylhex-2-enamide?
(E)-N-(3-hydroxypropyl)-5,5-dimethylhex-2-enamide has a molecular weight of 199.29 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-hydroxypropyl)-5,5-dimethylhex-2-enamide is sourced from PubChem (CID 176757813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).