(E)-N-(2,3,3-trimethylbutyl)but-2-enamide

C11H21NO — CID 78965876

IUPAC(E)-N-(2,3,3-trimethylbutyl)but-2-enamide
SMILESC/C=C/C(=O)NCC(C)C(C)(C)C
InChIInChI=1S/C11H21NO/c1-6-7-10(13)12-8-9(2)11(3,4)5/h6-7,9H,8H2,1-5H3,(H,12,13)/b7-6+
InChIKeyAAFNUQLXJPVEDX-VOTSOKGWSA-N
MW183.29 g/mol
LogP2.36
Rot. Bonds3

About (E)-N-(2,3,3-trimethylbutyl)but-2-enamide

(E)-N-(2,3,3-trimethylbutyl)but-2-enamide (PubChem CID 78965876) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (E)-N-(2,3,3-trimethylbutyl)but-2-enamide.

Molecular Properties

Compound Name(E)-N-(2,3,3-trimethylbutyl)but-2-enamide
PubChem CID78965876
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(E)-N-(2,3,3-trimethylbutyl)but-2-enamide
SMILESC/C=C/C(=O)NCC(C)C(C)(C)C
InChIInChI=1S/C11H21NO/c1-6-7-10(13)12-8-9(2)11(3,4)5/h6-7,9H,8H2,1-5H3,(H,12,13)/b7-6+
InChIKeyAAFNUQLXJPVEDX-VOTSOKGWSA-N
XLogP2.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3,3-trimethylbutyl)prop-2-enamide
CID 83142372
(E)-N-(3-hydroxy-2-methylpropyl)but-2-enamide
CID 65031695
N-[(2R)-2,3,3-trimethylbutyl]acetamide
CID 59118608
N-(2-cyanopropyl)but-2-enamide
CID 78997190
(E)-N-(3,3,3-trifluoro-2-hydroxypropyl)but-2-enamide
CID 103755858
(E)-[(2S)-1-[[(E)-but-2-enoyl]amino]-3-methylbutan-2-yl]-hydroxyimino-oxidoazanium
CID 135565324
2-oxo-2-(2,3,3-trimethylbutylamino)acetic acid
CID 83143356
1-(but-2-enoylamino)-N-(hydroxyamino)-3-methylbutan-2-amine oxide
CID 163141049
N-(2-hydroxy-2,4-dimethylpentyl)but-2-enamide
CID 77114238
(E)-N-(3,3-dimethylbutyl)but-2-enamide
CID 115580737
1-propan-2-yl-3-(2,3,3-trimethylbutyl)urea
CID 115629659
4-chloro-N-(2,3,3-trimethylbutyl)butanamide
CID 83142123

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2,3,3-trimethylbutyl)but-2-enamide?
The IUPAC name of (E)-N-(2,3,3-trimethylbutyl)but-2-enamide (CID 78965876) is (E)-N-(2,3,3-trimethylbutyl)but-2-enamide.
What is the SMILES notation for (E)-N-(2,3,3-trimethylbutyl)but-2-enamide?
The canonical SMILES for (E)-N-(2,3,3-trimethylbutyl)but-2-enamide is C/C=C/C(=O)NCC(C)C(C)(C)C.
What is the InChIKey of (E)-N-(2,3,3-trimethylbutyl)but-2-enamide?
The InChIKey is AAFNUQLXJPVEDX-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H21NO/c1-6-7-10(13)12-8-9(2)11(3,4)5/h6-7,9H,8H2,1-5H3,(H,12,13)/b7-6+.
What are the key properties of (E)-N-(2,3,3-trimethylbutyl)but-2-enamide?
(E)-N-(2,3,3-trimethylbutyl)but-2-enamide has a molecular weight of 183.29 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,3,3-trimethylbutyl)but-2-enamide is sourced from PubChem (CID 78965876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).