(E)-N-tert-butyl-4-phenyl-2-propan-2-yloxybut-3-enamide

C17H25NO2 — CID 42643082

IUPAC(E)-N-tert-butyl-4-phenyl-2-propan-2-yloxybut-3-enamide
SMILESCC(C)OC(/C=C/c1ccccc1)C(=O)NC(C)(C)C
InChIInChI=1S/C17H25NO2/c1-13(2)20-15(16(19)18-17(3,4)5)12-11-14-9-7-6-8-10-14/h6-13,15H,1-5H3,(H,18,19)/b12-11+
InChIKeyRPZLNYHCENJWOT-VAWYXSNFSA-N
MW275.39 g/mol
LogP3.41
Rot. Bonds5

About (E)-N-tert-butyl-4-phenyl-2-propan-2-yloxybut-3-enamide

(E)-N-tert-butyl-4-phenyl-2-propan-2-yloxybut-3-enamide (PubChem CID 42643082) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is (E)-N-tert-butyl-4-phenyl-2-propan-2-yloxybut-3-enamide.

Molecular Properties

Compound Name(E)-N-tert-butyl-4-phenyl-2-propan-2-yloxybut-3-enamide
PubChem CID42643082
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name(E)-N-tert-butyl-4-phenyl-2-propan-2-yloxybut-3-enamide
SMILESCC(C)OC(/C=C/c1ccccc1)C(=O)NC(C)(C)C
InChIInChI=1S/C17H25NO2/c1-13(2)20-15(16(19)18-17(3,4)5)12-11-14-9-7-6-8-10-14/h6-13,15H,1-5H3,(H,18,19)/b12-11+
InChIKeyRPZLNYHCENJWOT-VAWYXSNFSA-N
XLogP3.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 68936
[2-(tert-butylamino)-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate
CID 2417155
(E)-N-tert-butyl-2-hydroxy-4-phenylbut-3-enamide
CID 11276349
N-tert-butyl-2-[(E)-2-phenylethenyl]oxirane-2-carboxamide
CID 56663073
[1-(tert-butylamino)-3-methyl-1-oxobutan-2-yl] (E)-3-phenylprop-2-enoate
CID 171342766
Methastyridon
CID 6083100
(E,2S)-N-tert-butyl-4-(2-fluorophenyl)-2-hydroxybut-3-enamide
CID 138982597
(E,2S)-N-tert-butyl-4-(4-fluorophenyl)-2-hydroxybut-3-enamide
CID 138982598
(E,2S)-N-tert-butyl-4-(3-fluorophenyl)-2-hydroxybut-3-enamide
CID 138982786
(E)-N-tert-butyl-2-hydroxy-3-methyl-4-phenylbut-3-enamide
CID 101254347
2-benzhydryloxy-N-tert-butylacetamide
CID 22159724
(E,2S)-N-tert-butyl-2-hydroxy-4-phenylbut-3-enamide
CID 11608331

Frequently Asked Questions

What is the IUPAC name of (E)-N-tert-butyl-4-phenyl-2-propan-2-yloxybut-3-enamide?
The IUPAC name of (E)-N-tert-butyl-4-phenyl-2-propan-2-yloxybut-3-enamide (CID 42643082) is (E)-N-tert-butyl-4-phenyl-2-propan-2-yloxybut-3-enamide.
What is the SMILES notation for (E)-N-tert-butyl-4-phenyl-2-propan-2-yloxybut-3-enamide?
The canonical SMILES for (E)-N-tert-butyl-4-phenyl-2-propan-2-yloxybut-3-enamide is CC(C)OC(/C=C/c1ccccc1)C(=O)NC(C)(C)C.
What is the InChIKey of (E)-N-tert-butyl-4-phenyl-2-propan-2-yloxybut-3-enamide?
The InChIKey is RPZLNYHCENJWOT-VAWYXSNFSA-N. The full InChI is InChI=1S/C17H25NO2/c1-13(2)20-15(16(19)18-17(3,4)5)12-11-14-9-7-6-8-10-14/h6-13,15H,1-5H3,(H,18,19)/b12-11+.
What are the key properties of (E)-N-tert-butyl-4-phenyl-2-propan-2-yloxybut-3-enamide?
(E)-N-tert-butyl-4-phenyl-2-propan-2-yloxybut-3-enamide has a molecular weight of 275.39 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-tert-butyl-4-phenyl-2-propan-2-yloxybut-3-enamide is sourced from PubChem (CID 42643082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).