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

C28H50N2O4 — CID 139189970

IUPAC(2E)-2-(cyclohexylmethylidene)-N-(2-hydroxyethyl)-3-methylbutanamide
SMILESCC(C)/C(=C\C1CCCCC1)C(=O)NCCO.CC(C)/C(=C\C1CCCCC1)C(=O)NCCO
InChIInChI=1S/2C14H25NO2/c2*1-11(2)13(14(17)15-8-9-16)10-12-6-4-3-5-7-12/h2*10-12,16H,3-9H2,1-2H3,(H,15,17)/b2*13-10+
InChIKeyYYVDRIIJKIUUTG-GJQXIAOISA-N
MW478.72 g/mol
LogP4.52
Rot. Bonds10

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

(2E)-2-(cyclohexylmethylidene)-N-(2-hydroxyethyl)-3-methylbutanamide (PubChem CID 139189970) has the molecular formula C28H50N2O4 and a molecular weight of 478.72 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 CID139189970
Molecular FormulaC28H50N2O4
Molecular Weight478.72 g/mol
Exact Mass478.38
IUPAC Name(2E)-2-(cyclohexylmethylidene)-N-(2-hydroxyethyl)-3-methylbutanamide
SMILESCC(C)/C(=C\C1CCCCC1)C(=O)NCCO.CC(C)/C(=C\C1CCCCC1)C(=O)NCCO
InChIInChI=1S/2C14H25NO2/c2*1-11(2)13(14(17)15-8-9-16)10-12-6-4-3-5-7-12/h2*10-12,16H,3-9H2,1-2H3,(H,15,17)/b2*13-10+
InChIKeyYYVDRIIJKIUUTG-GJQXIAOISA-N
XLogP4.52
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.72
LogP ≤ 54.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2E)-2-(cyclohexylmethylidene)-N-(2-hydroxyethyl)-3-methylbutanamide
CID 11368442
(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
(2E,4Z,6E,8Z)-N-(2-hydroxyethyl)-2-propan-2-ylicosa-2,4,6,8-tetraenamide
CID 21158634
N-(2-hydroxyethyl)-4-prop-1-en-2-ylcyclohexene-1-carboxamide
CID 69866922
(4R)-N-(2-hydroxyethyl)-4-prop-1-en-2-ylcyclohexene-1-carboxamide
CID 91346857
N-cyclohexyl-2-methylprop-2-enamide;3-cyclohexyl-2-methylprop-2-enamide
CID 160326884
(E)-N'-(2-hydroxyethyl)-4-methyl-3-(5-methyl-3-propylhex-5-enyl)-N-propylpent-2-enediamide
CID 169998950
(3E,5E)-1-N,3-N,5-N-tris(2-hydroxyethyl)-9-methyldeca-1,3,5-triene-1,3,5-tricarboxamide
CID 170110529
(E)-N-(2-hydroxyethyl)-2-methyl-3-(4-prop-1-en-2-ylcyclohexen-1-yl)prop-2-enamide
CID 21594098
(2E)-N-(2-hydroxyethyl)-2,5,9-trimethyldeca-2,8-dienamide
CID 23251855

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 139189970) 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.CC(C)/C(=C\C1CCCCC1)C(=O)NCCO.
What is the InChIKey of (2E)-2-(cyclohexylmethylidene)-N-(2-hydroxyethyl)-3-methylbutanamide?
The InChIKey is YYVDRIIJKIUUTG-GJQXIAOISA-N. The full InChI is InChI=1S/2C14H25NO2/c2*1-11(2)13(14(17)15-8-9-16)10-12-6-4-3-5-7-12/h2*10-12,16H,3-9H2,1-2H3,(H,15,17)/b2*13-10+.
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 478.72 g/mol, XLogP of 4.52, 10 rotatable bonds, 4 hydrogen bond donors, and 4 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 139189970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).