(2E)-N-tert-butyl-4-cyclohexylpenta-2,4-dienamide

C15H25NO — CID 135056567

IUPAC(2E)-N-tert-butyl-4-cyclohexylpenta-2,4-dienamide
SMILESC=C(/C=C/C(=O)NC(C)(C)C)C1CCCCC1
InChIInChI=1S/C15H25NO/c1-12(13-8-6-5-7-9-13)10-11-14(17)16-15(2,3)4/h10-11,13H,1,5-9H2,2-4H3,(H,16,17)/b11-10+
InChIKeyNZMGNVHIXNYGLD-ZHACJKMWSA-N
MW235.37 g/mol
LogP3.59
Rot. Bonds3

About (2E)-N-tert-butyl-4-cyclohexylpenta-2,4-dienamide

(2E)-N-tert-butyl-4-cyclohexylpenta-2,4-dienamide (PubChem CID 135056567) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is (2E)-N-tert-butyl-4-cyclohexylpenta-2,4-dienamide.

Molecular Properties

Compound Name(2E)-N-tert-butyl-4-cyclohexylpenta-2,4-dienamide
PubChem CID135056567
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name(2E)-N-tert-butyl-4-cyclohexylpenta-2,4-dienamide
SMILESC=C(/C=C/C(=O)NC(C)(C)C)C1CCCCC1
InChIInChI=1S/C15H25NO/c1-12(13-8-6-5-7-9-13)10-11-14(17)16-15(2,3)4/h10-11,13H,1,5-9H2,2-4H3,(H,16,17)/b11-10+
InChIKeyNZMGNVHIXNYGLD-ZHACJKMWSA-N
XLogP3.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E)-N-tert-butyl-4-cyclobutylpenta-2,4-dienamide
CID 102084154
(E)-N-tert-butyl-5-methyl-4-methylidenehex-2-enamide
CID 135056552
(2E,4E,6E,8E)-N-tert-butyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
CID 11416958
6-(2-cyclohexylethyl)-1H-pyridin-2-one
CID 22185504
(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)-N-(2,4,4-trimethylpentan-2-yl)nona-2,4,6,8-tetraenamide
CID 23374463
N-tert-butyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
CID 53954781
3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)-N-(2,4,4-trimethylpentan-2-yl)nona-2,4,6,8-tetraenamide
CID 54406255
N-(6-ethyl-1-methylcyclohexa-2,4-dien-1-yl)prop-2-enamide
CID 67859817
5-[(1R,5R,6E)-1-amino-6-ethylidene-3,5-dimethylcyclohex-3-en-1-yl]-6-methyl-1H-pyridin-2-one
CID 68652246
(6Z,9E)-5-amino-6-ethylidene-5,9,11-trimethyl-1,7,8,11-tetrahydrocyclonona[b]pyridin-2-one
CID 70645004
(E)-N-tert-pentyl dec-2-enamide
CID 86694802
(2E,4E)-N-tert-butyldeca-2,4-dienamide
CID 87311088

Frequently Asked Questions

What is the IUPAC name of (2E)-N-tert-butyl-4-cyclohexylpenta-2,4-dienamide?
The IUPAC name of (2E)-N-tert-butyl-4-cyclohexylpenta-2,4-dienamide (CID 135056567) is (2E)-N-tert-butyl-4-cyclohexylpenta-2,4-dienamide.
What is the SMILES notation for (2E)-N-tert-butyl-4-cyclohexylpenta-2,4-dienamide?
The canonical SMILES for (2E)-N-tert-butyl-4-cyclohexylpenta-2,4-dienamide is C=C(/C=C/C(=O)NC(C)(C)C)C1CCCCC1.
What is the InChIKey of (2E)-N-tert-butyl-4-cyclohexylpenta-2,4-dienamide?
The InChIKey is NZMGNVHIXNYGLD-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H25NO/c1-12(13-8-6-5-7-9-13)10-11-14(17)16-15(2,3)4/h10-11,13H,1,5-9H2,2-4H3,(H,16,17)/b11-10+.
What are the key properties of (2E)-N-tert-butyl-4-cyclohexylpenta-2,4-dienamide?
(2E)-N-tert-butyl-4-cyclohexylpenta-2,4-dienamide has a molecular weight of 235.37 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-tert-butyl-4-cyclohexylpenta-2,4-dienamide is sourced from PubChem (CID 135056567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).