(Z)-N-(2-ethyl-2-hydroxybutyl)-3,4,4-trimethylpent-2-enamide

C14H27NO2 — CID 111485934

IUPAC(Z)-N-(2-ethyl-2-hydroxybutyl)-3,4,4-trimethylpent-2-enamide
SMILESCCC(O)(CC)CNC(=O)/C=C(/C)C(C)(C)C
InChIInChI=1S/C14H27NO2/c1-7-14(17,8-2)10-15-12(16)9-11(3)13(4,5)6/h9,17H,7-8,10H2,1-6H3,(H,15,16)/b11-9-
InChIKeyBZJKZGQDHVWQCJ-LUAWRHEFSA-N
MW241.37 g/mol
LogP2.65
Rot. Bonds5

About (Z)-N-(2-ethyl-2-hydroxybutyl)-3,4,4-trimethylpent-2-enamide

(Z)-N-(2-ethyl-2-hydroxybutyl)-3,4,4-trimethylpent-2-enamide (PubChem CID 111485934) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is (Z)-N-(2-ethyl-2-hydroxybutyl)-3,4,4-trimethylpent-2-enamide.

Molecular Properties

Compound Name(Z)-N-(2-ethyl-2-hydroxybutyl)-3,4,4-trimethylpent-2-enamide
PubChem CID111485934
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name(Z)-N-(2-ethyl-2-hydroxybutyl)-3,4,4-trimethylpent-2-enamide
SMILESCCC(O)(CC)CNC(=O)/C=C(/C)C(C)(C)C
InChIInChI=1S/C14H27NO2/c1-7-14(17,8-2)10-15-12(16)9-11(3)13(4,5)6/h9,17H,7-8,10H2,1-6H3,(H,15,16)/b11-9-
InChIKeyBZJKZGQDHVWQCJ-LUAWRHEFSA-N
XLogP2.65
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-tert-butyl-3-(2-ethyl-2-hydroxybutyl)urea
CID 65113623
(Z)-N-(3-hydroxybutyl)-3,4,4-trimethylpent-2-enamide
CID 111470217
2-chloro-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 65105640
4-amino-N-(2-ethyl-2-hydroxybutyl)butanamide
CID 65106740
N-(2-ethyl-2-hydroxybutyl)-2,3,4,5,6-pentafluorobenzamide
CID 65113934
(E)-3-(4-aminophenyl)-N-(2-ethyl-2-hydroxybutyl)prop-2-enamide
CID 115344367
5-chloro-N-(2-ethyl-2-hydroxybutyl)pentanamide
CID 65105586
N-(2-ethyl-2-hydroxybutyl)-3-(furan-2-yl)prop-2-enamide
CID 77056421
4-acetyl-N-(2-ethyl-2-hydroxybutyl)benzamide
CID 111483322
1-butyl-3-(2-ethyl-2-hydroxybutyl)urea
CID 62068260
3-(4-cyanophenyl)-N-(2-ethyl-2-hydroxybutyl)prop-2-enamide
CID 77056496
N-(2-ethyl-2-hydroxybutyl)-3-methylpentanamide
CID 114875415

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(2-ethyl-2-hydroxybutyl)-3,4,4-trimethylpent-2-enamide?
The IUPAC name of (Z)-N-(2-ethyl-2-hydroxybutyl)-3,4,4-trimethylpent-2-enamide (CID 111485934) is (Z)-N-(2-ethyl-2-hydroxybutyl)-3,4,4-trimethylpent-2-enamide.
What is the SMILES notation for (Z)-N-(2-ethyl-2-hydroxybutyl)-3,4,4-trimethylpent-2-enamide?
The canonical SMILES for (Z)-N-(2-ethyl-2-hydroxybutyl)-3,4,4-trimethylpent-2-enamide is CCC(O)(CC)CNC(=O)/C=C(/C)C(C)(C)C.
What is the InChIKey of (Z)-N-(2-ethyl-2-hydroxybutyl)-3,4,4-trimethylpent-2-enamide?
The InChIKey is BZJKZGQDHVWQCJ-LUAWRHEFSA-N. The full InChI is InChI=1S/C14H27NO2/c1-7-14(17,8-2)10-15-12(16)9-11(3)13(4,5)6/h9,17H,7-8,10H2,1-6H3,(H,15,16)/b11-9-.
What are the key properties of (Z)-N-(2-ethyl-2-hydroxybutyl)-3,4,4-trimethylpent-2-enamide?
(Z)-N-(2-ethyl-2-hydroxybutyl)-3,4,4-trimethylpent-2-enamide has a molecular weight of 241.37 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2-ethyl-2-hydroxybutyl)-3,4,4-trimethylpent-2-enamide is sourced from PubChem (CID 111485934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).