(2E)-N,N,2-tri(propan-2-yl)penta-2,4-dienamide

C14H25NO — CID 59412382

IUPAC(2E)-N,N,2-tri(propan-2-yl)penta-2,4-dienamide
SMILESC=C/C=C(/C(=O)N(C(C)C)C(C)C)C(C)C
InChIInChI=1S/C14H25NO/c1-8-9-13(10(2)3)14(16)15(11(4)5)12(6)7/h8-12H,1H2,2-7H3/b13-9+
InChIKeyHKMRKQVBTWAOFC-UKTHLTGXSA-N
MW223.36 g/mol
LogP3.40
Rot. Bonds5

About (2E)-N,N,2-tri(propan-2-yl)penta-2,4-dienamide

(2E)-N,N,2-tri(propan-2-yl)penta-2,4-dienamide (PubChem CID 59412382) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is (2E)-N,N,2-tri(propan-2-yl)penta-2,4-dienamide.

Molecular Properties

Compound Name(2E)-N,N,2-tri(propan-2-yl)penta-2,4-dienamide
PubChem CID59412382
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name(2E)-N,N,2-tri(propan-2-yl)penta-2,4-dienamide
SMILESC=C/C=C(/C(=O)N(C(C)C)C(C)C)C(C)C
InChIInChI=1S/C14H25NO/c1-8-9-13(10(2)3)14(16)15(11(4)5)12(6)7/h8-12H,1H2,2-7H3/b13-9+
InChIKeyHKMRKQVBTWAOFC-UKTHLTGXSA-N
XLogP3.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.40
H-Bond Donors ≤ 50
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

N,1-dimethyl-N-[(2S)-4-methylpentan-2-yl]-6-oxopyridine-3-carboxamide
CID 93619252
5-Fluoro-1,3-di(propan-2-yl)pyridin-2-one
CID 89728117
(3Z,5Z)-1-butyl-8-fluoro-2,8-dimethyl-2,7-dihydroazonin-9-one
CID 126663067
3-Ethyl-5-fluoro-1-propan-2-ylpyridin-2-one
CID 138466467
N-(2-fluoroethyl)-N-methyl-5-propan-2-ylcyclohepta-1,4,6-triene-1-carboxamide
CID 142308885
(2E,4E)-N-(2-fluoroethyl)-N,5,6-trimethyl-2-prop-2-enylhepta-2,4-dienamide
CID 142308954
6-Fluoro-1,3-di(propan-2-yl)pyridin-2-one
CID 146569437
1-Ethyl-5-fluoro-3-propan-2-ylpyridin-2-one
CID 155119422
1,3-Di(propan-2-yl)-5-(trifluoromethyl)pyridin-2-one
CID 164558718
5-Fluoro-3-propan-2-yl-1-propylpyridin-2-one
CID 178099392
(E)-N,N-di(propan-2-yl)-2-propylhex-2-enamide
CID 101466460
N-(2-fluoroethyl)-N-methyl-4-propan-2-ylcyclohepta-1,3,5-triene-1-carboxamide
CID 142309067

Frequently Asked Questions

What is the IUPAC name of (2E)-N,N,2-tri(propan-2-yl)penta-2,4-dienamide?
The IUPAC name of (2E)-N,N,2-tri(propan-2-yl)penta-2,4-dienamide (CID 59412382) is (2E)-N,N,2-tri(propan-2-yl)penta-2,4-dienamide.
What is the SMILES notation for (2E)-N,N,2-tri(propan-2-yl)penta-2,4-dienamide?
The canonical SMILES for (2E)-N,N,2-tri(propan-2-yl)penta-2,4-dienamide is C=C/C=C(/C(=O)N(C(C)C)C(C)C)C(C)C.
What is the InChIKey of (2E)-N,N,2-tri(propan-2-yl)penta-2,4-dienamide?
The InChIKey is HKMRKQVBTWAOFC-UKTHLTGXSA-N. The full InChI is InChI=1S/C14H25NO/c1-8-9-13(10(2)3)14(16)15(11(4)5)12(6)7/h8-12H,1H2,2-7H3/b13-9+.
What are the key properties of (2E)-N,N,2-tri(propan-2-yl)penta-2,4-dienamide?
(2E)-N,N,2-tri(propan-2-yl)penta-2,4-dienamide has a molecular weight of 223.36 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N,N,2-tri(propan-2-yl)penta-2,4-dienamide is sourced from PubChem (CID 59412382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).