(E)-2-[(Z)-2-(methoxyamino)ethenyl]-N-[(2S)-2-methylbutyl]but-2-enamide

C12H22N2O2 — CID 143226619

IUPAC(E)-2-[(Z)-2-(methoxyamino)ethenyl]-N-[(2S)-2-methylbutyl]but-2-enamide
SMILESC/C=C(\C=C/NOC)C(=O)NC[C@@H](C)CC
InChIInChI=1S/C12H22N2O2/c1-5-10(3)9-13-12(15)11(6-2)7-8-14-16-4/h6-8,10,14H,5,9H2,1-4H3,(H,13,15)/b8-7-,11-6+/t10-/m0/s1
InChIKeyFZIPLLZWIYKZDG-LLPKDFBWSA-N
MW226.32 g/mol
LogP1.76
Rot. Bonds7

About (E)-2-[(Z)-2-(methoxyamino)ethenyl]-N-[(2S)-2-methylbutyl]but-2-enamide

(E)-2-[(Z)-2-(methoxyamino)ethenyl]-N-[(2S)-2-methylbutyl]but-2-enamide (PubChem CID 143226619) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is (E)-2-[(Z)-2-(methoxyamino)ethenyl]-N-[(2S)-2-methylbutyl]but-2-enamide.

Molecular Properties

Compound Name(E)-2-[(Z)-2-(methoxyamino)ethenyl]-N-[(2S)-2-methylbutyl]but-2-enamide
PubChem CID143226619
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name(E)-2-[(Z)-2-(methoxyamino)ethenyl]-N-[(2S)-2-methylbutyl]but-2-enamide
SMILESC/C=C(\C=C/NOC)C(=O)NC[C@@H](C)CC
InChIInChI=1S/C12H22N2O2/c1-5-10(3)9-13-12(15)11(6-2)7-8-14-16-4/h6-8,10,14H,5,9H2,1-4H3,(H,13,15)/b8-7-,11-6+/t10-/m0/s1
InChIKeyFZIPLLZWIYKZDG-LLPKDFBWSA-N
XLogP1.76
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylbutylamino)-2-oxoacetic acid
CID 62693347
[(2S)-2-methylbutyl]carbamic acid
CID 147069594
2-methylbutylcarbamothioic S-acid
CID 87545764
2-methylbutylurea
CID 22179633
(2S)-2-methyl-N-(2-methylbutyl)butanamide;2-methyl-N-[(2S)-2-methylbutyl]butanamide;(2S)-2-methyl-N-[(2S)-2-methylbutyl]butanamide
CID 167576968
(E)-3-(4-methoxyphenyl)-N-(2-methylbutyl)prop-2-enamide
CID 53243304
ethane;N-(2-methylbutyl)propanamide
CID 177054062
N-(2-methylbutyl)dodec-2-enamide
CID 163098446
3-amino-2-methoxy-N-(2-methylbutyl)propanamide
CID 106112770
(2S)-2-amino-N-(2-methylbutyl)propanamide
CID 59620908
2-amino-3-methyl-N-(2-methylbutyl)pentanamide
CID 62693739
tert-butyl N-[2-(2-methylbutylamino)propyl]carbamate
CID 103389833

Frequently Asked Questions

What is the IUPAC name of (E)-2-[(Z)-2-(methoxyamino)ethenyl]-N-[(2S)-2-methylbutyl]but-2-enamide?
The IUPAC name of (E)-2-[(Z)-2-(methoxyamino)ethenyl]-N-[(2S)-2-methylbutyl]but-2-enamide (CID 143226619) is (E)-2-[(Z)-2-(methoxyamino)ethenyl]-N-[(2S)-2-methylbutyl]but-2-enamide.
What is the SMILES notation for (E)-2-[(Z)-2-(methoxyamino)ethenyl]-N-[(2S)-2-methylbutyl]but-2-enamide?
The canonical SMILES for (E)-2-[(Z)-2-(methoxyamino)ethenyl]-N-[(2S)-2-methylbutyl]but-2-enamide is C/C=C(\C=C/NOC)C(=O)NC[C@@H](C)CC.
What is the InChIKey of (E)-2-[(Z)-2-(methoxyamino)ethenyl]-N-[(2S)-2-methylbutyl]but-2-enamide?
The InChIKey is FZIPLLZWIYKZDG-LLPKDFBWSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-5-10(3)9-13-12(15)11(6-2)7-8-14-16-4/h6-8,10,14H,5,9H2,1-4H3,(H,13,15)/b8-7-,11-6+/t10-/m0/s1.
What are the key properties of (E)-2-[(Z)-2-(methoxyamino)ethenyl]-N-[(2S)-2-methylbutyl]but-2-enamide?
(E)-2-[(Z)-2-(methoxyamino)ethenyl]-N-[(2S)-2-methylbutyl]but-2-enamide has a molecular weight of 226.32 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[(Z)-2-(methoxyamino)ethenyl]-N-[(2S)-2-methylbutyl]but-2-enamide is sourced from PubChem (CID 143226619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).