(E)-N-[4-[[(E)-4,4-dimethylpent-2-enoyl]amino]phenyl]-4,4-dimethylpent-2-enamide

C20H28N2O2 — CID 155301792

IUPAC(E)-N-[4-[[(E)-4,4-dimethylpent-2-enoyl]amino]phenyl]-4,4-dimethylpent-2-enamide
SMILESCC(C)(C)/C=C/C(=O)Nc1ccc(NC(=O)/C=C/C(C)(C)C)cc1
InChIInChI=1S/C20H28N2O2/c1-19(2,3)13-11-17(23)21-15-7-9-16(10-8-15)22-18(24)12-14-20(4,5)6/h7-14H,1-6H3,(H,21,23)(H,22,24)/b13-11+,14-12+
InChIKeyBFTMWGDNEIKJAO-PHEQNACWSA-N
MW328.46 g/mol
LogP4.77
Rot. Bonds4

About (E)-N-[4-[[(E)-4,4-dimethylpent-2-enoyl]amino]phenyl]-4,4-dimethylpent-2-enamide

(E)-N-[4-[[(E)-4,4-dimethylpent-2-enoyl]amino]phenyl]-4,4-dimethylpent-2-enamide (PubChem CID 155301792) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is (E)-N-[4-[[(E)-4,4-dimethylpent-2-enoyl]amino]phenyl]-4,4-dimethylpent-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-[[(E)-4,4-dimethylpent-2-enoyl]amino]phenyl]-4,4-dimethylpent-2-enamide
PubChem CID155301792
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name(E)-N-[4-[[(E)-4,4-dimethylpent-2-enoyl]amino]phenyl]-4,4-dimethylpent-2-enamide
SMILESCC(C)(C)/C=C/C(=O)Nc1ccc(NC(=O)/C=C/C(C)(C)C)cc1
InChIInChI=1S/C20H28N2O2/c1-19(2,3)13-11-17(23)21-15-7-9-16(10-8-15)22-18(24)12-14-20(4,5)6/h7-14H,1-6H3,(H,21,23)(H,22,24)/b13-11+,14-12+
InChIKeyBFTMWGDNEIKJAO-PHEQNACWSA-N
XLogP4.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 54.77
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

(E)-N-(4-ethoxy-3-methylphenyl)-4,4-dimethylpent-2-enamide
CID 86950140
(E)-N-(2,4-dimethylphenyl)-4,4-dimethylpent-2-enamide
CID 101271751
(E)-N,N'-bis(4-hydroxyphenyl)but-2-enediamide
CID 5356642
(E)-4-methyl-N-(4-methylphenyl)pent-2-enamide
CID 70821630
(Z)-4-oxo-4-(4-sulfanylanilino)but-2-enoic acid
CID 70007709
N-[4-(carbamoylamino)phenyl]but-2-enamide
CID 78997401
4-[4-(tert-butylcarbamoyl)anilino]-4-oxobut-2-enoic acid
CID 53407470
4-[[(2Z,4E)-hexa-2,4-dienoyl]amino]benzoic acid
CID 99872148
(E)-N-(4-methoxyphenyl)-4-methylpent-2-enamide
CID 127125735
tert-butyl N-[4-(prop-2-enoylamino)phenyl]carbamate
CID 70001681
(E)-N-[3-[[(2-cyanoacetyl)amino]methyl]phenyl]-4,4-dimethylpent-2-enamide
CID 108924210
(Z)-N-phenylbut-2-enamide
CID 59909226

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-[[(E)-4,4-dimethylpent-2-enoyl]amino]phenyl]-4,4-dimethylpent-2-enamide?
The IUPAC name of (E)-N-[4-[[(E)-4,4-dimethylpent-2-enoyl]amino]phenyl]-4,4-dimethylpent-2-enamide (CID 155301792) is (E)-N-[4-[[(E)-4,4-dimethylpent-2-enoyl]amino]phenyl]-4,4-dimethylpent-2-enamide.
What is the SMILES notation for (E)-N-[4-[[(E)-4,4-dimethylpent-2-enoyl]amino]phenyl]-4,4-dimethylpent-2-enamide?
The canonical SMILES for (E)-N-[4-[[(E)-4,4-dimethylpent-2-enoyl]amino]phenyl]-4,4-dimethylpent-2-enamide is CC(C)(C)/C=C/C(=O)Nc1ccc(NC(=O)/C=C/C(C)(C)C)cc1.
What is the InChIKey of (E)-N-[4-[[(E)-4,4-dimethylpent-2-enoyl]amino]phenyl]-4,4-dimethylpent-2-enamide?
The InChIKey is BFTMWGDNEIKJAO-PHEQNACWSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-19(2,3)13-11-17(23)21-15-7-9-16(10-8-15)22-18(24)12-14-20(4,5)6/h7-14H,1-6H3,(H,21,23)(H,22,24)/b13-11+,14-12+.
What are the key properties of (E)-N-[4-[[(E)-4,4-dimethylpent-2-enoyl]amino]phenyl]-4,4-dimethylpent-2-enamide?
(E)-N-[4-[[(E)-4,4-dimethylpent-2-enoyl]amino]phenyl]-4,4-dimethylpent-2-enamide has a molecular weight of 328.46 g/mol, XLogP of 4.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-[[(E)-4,4-dimethylpent-2-enoyl]amino]phenyl]-4,4-dimethylpent-2-enamide is sourced from PubChem (CID 155301792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).