(2E)-2-(cyclohexylmethylidene)-N-(2-hydroxyethyl)-3-methylbutanamide

C14H25NO2 — CID 11368442

IUPAC(2E)-2-(cyclohexylmethylidene)-N-(2-hydroxyethyl)-3-methylbutanamide
SMILESCC(C)/C(=C\C1CCCCC1)C(=O)NCCO
InChIInChI=1S/C14H25NO2/c1-11(2)13(14(17)15-8-9-16)10-12-6-4-3-5-7-12/h10-12,16H,3-9H2,1-2H3,(H,15,17)/b13-10+
InChIKeyBBPORZVWNSBTAS-JLHYYAGUSA-N
MW239.36 g/mol
LogP2.26
Rot. Bonds5

About (2E)-2-(cyclohexylmethylidene)-N-(2-hydroxyethyl)-3-methylbutanamide

(2E)-2-(cyclohexylmethylidene)-N-(2-hydroxyethyl)-3-methylbutanamide (PubChem CID 11368442) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is (2E)-2-(cyclohexylmethylidene)-N-(2-hydroxyethyl)-3-methylbutanamide.

Molecular Properties

Compound Name(2E)-2-(cyclohexylmethylidene)-N-(2-hydroxyethyl)-3-methylbutanamide
PubChem CID11368442
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name(2E)-2-(cyclohexylmethylidene)-N-(2-hydroxyethyl)-3-methylbutanamide
SMILESCC(C)/C(=C\C1CCCCC1)C(=O)NCCO
InChIInChI=1S/C14H25NO2/c1-11(2)13(14(17)15-8-9-16)10-12-6-4-3-5-7-12/h10-12,16H,3-9H2,1-2H3,(H,15,17)/b13-10+
InChIKeyBBPORZVWNSBTAS-JLHYYAGUSA-N
XLogP2.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.26
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

(3S,4R)-3-ethyl-4-fluoro-N-(2-hydroxyethyl)cyclohexa-1,5-diene-1-carboxamide
CID 167046954
(2E)-2-(cyclohexylmethylidene)-N-(2-hydroxyethyl)-3-methylbutanamide
CID 139189970
(2E,5S)-N-(2-hydroxyethyl)-2,5,9-trimethyldeca-2,8-dienamide
CID 11357237
(E)-N-(2-hydroxyethyl)-2-methyl-3-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]prop-2-enamide
CID 11436615
N,N-bis(2-hydroxyethyl)-4-prop-1-en-2-ylcyclohexene-1-carboxamide
CID 15346799
(2E,4Z,6E,8Z)-N-(2-hydroxyethyl)-2-propan-2-ylicosa-2,4,6,8-tetraenamide
CID 21158634
(E)-N-(2-hydroxyethyl)-3,7,11,15-tetramethylhexadec-2-enamide
CID 21297963
N-(3,7,11,15-Tetramethyl-2-hexadecenoyl)-ethanolamine
CID 54155557
N-(2-hydroxyethyl)bicyclo[2.2.1]hept-2-ene-2-carboxamide
CID 69730477
N-(2-hydroxyethyl)-4-prop-1-en-2-ylcyclohexene-1-carboxamide
CID 69866922
N-(2-hydroxyethyl)-3,7-dimethyloct-6-enamide
CID 87962232
N-(2-hydroxyethyl)-2-methylpentacos-2-enamide
CID 89405987

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(cyclohexylmethylidene)-N-(2-hydroxyethyl)-3-methylbutanamide?
The IUPAC name of (2E)-2-(cyclohexylmethylidene)-N-(2-hydroxyethyl)-3-methylbutanamide (CID 11368442) is (2E)-2-(cyclohexylmethylidene)-N-(2-hydroxyethyl)-3-methylbutanamide.
What is the SMILES notation for (2E)-2-(cyclohexylmethylidene)-N-(2-hydroxyethyl)-3-methylbutanamide?
The canonical SMILES for (2E)-2-(cyclohexylmethylidene)-N-(2-hydroxyethyl)-3-methylbutanamide is CC(C)/C(=C\C1CCCCC1)C(=O)NCCO.
What is the InChIKey of (2E)-2-(cyclohexylmethylidene)-N-(2-hydroxyethyl)-3-methylbutanamide?
The InChIKey is BBPORZVWNSBTAS-JLHYYAGUSA-N. The full InChI is InChI=1S/C14H25NO2/c1-11(2)13(14(17)15-8-9-16)10-12-6-4-3-5-7-12/h10-12,16H,3-9H2,1-2H3,(H,15,17)/b13-10+.
What are the key properties of (2E)-2-(cyclohexylmethylidene)-N-(2-hydroxyethyl)-3-methylbutanamide?
(2E)-2-(cyclohexylmethylidene)-N-(2-hydroxyethyl)-3-methylbutanamide has a molecular weight of 239.36 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(cyclohexylmethylidene)-N-(2-hydroxyethyl)-3-methylbutanamide is sourced from PubChem (CID 11368442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).