(E)-2-methyl-N-(2-methylpropyl)but-2-enamide

C9H17NO — CID 57408889

IUPAC(E)-2-methyl-N-(2-methylpropyl)but-2-enamide
SMILESC/C=C(\C)C(=O)NCC(C)C
InChIInChI=1S/C9H17NO/c1-5-8(4)9(11)10-6-7(2)3/h5,7H,6H2,1-4H3,(H,10,11)/b8-5+
InChIKeyRPFDZLFZNNCJEC-VMPITWQZSA-N
MW155.24 g/mol
LogP1.72
Rot. Bonds3

About (E)-2-methyl-N-(2-methylpropyl)but-2-enamide

(E)-2-methyl-N-(2-methylpropyl)but-2-enamide (PubChem CID 57408889) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (E)-2-methyl-N-(2-methylpropyl)but-2-enamide.

Molecular Properties

Compound Name(E)-2-methyl-N-(2-methylpropyl)but-2-enamide
PubChem CID57408889
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(E)-2-methyl-N-(2-methylpropyl)but-2-enamide
SMILESC/C=C(\C)C(=O)NCC(C)C
InChIInChI=1S/C9H17NO/c1-5-8(4)9(11)10-6-7(2)3/h5,7H,6H2,1-4H3,(H,10,11)/b8-5+
InChIKeyRPFDZLFZNNCJEC-VMPITWQZSA-N
XLogP1.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.72
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

(E)-N-ethyl-2-methylbut-2-enamide
CID 22451134
N-(2-methylpropyl)-2,4-dioxopentanamide
CID 123533018
ethane;N-(2-methylpropyl)acetamide
CID 142232237
3-hydroxy-N-(2-hydroxypropyl)-2-methylprop-2-enamide
CID 156779688
(E)-3-iodo-N-(2-methylpropyl)but-2-enamide
CID 118384417
(E)-2,5-dimethyl-N-(2-methylpropyl)-7-(prop-2-enoylamino)hept-2-enamide
CID 130380848
(2E,4E)-N-(2-methylpropyl)-6-oxohepta-2,4-dienamide
CID 25195169
ethyl 2-(2-methylpropylamino)-2-oxoacetate
CID 4143950
2-methylpropan-1-amine;N-(2-methylpropyl)acetamide
CID 161466003
ethane;(2E)-2-ethenyl-N-(2-methylpropyl)penta-2,4-dienamide
CID 143734508
(E)-2-methyl-N-(2-methylpropyl)-7-phenylhept-2-en-6-ynamide
CID 70372065
(Z)-N-hydroxy-2-methylbut-2-enamide
CID 123446935

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-N-(2-methylpropyl)but-2-enamide?
The IUPAC name of (E)-2-methyl-N-(2-methylpropyl)but-2-enamide (CID 57408889) is (E)-2-methyl-N-(2-methylpropyl)but-2-enamide.
What is the SMILES notation for (E)-2-methyl-N-(2-methylpropyl)but-2-enamide?
The canonical SMILES for (E)-2-methyl-N-(2-methylpropyl)but-2-enamide is C/C=C(\C)C(=O)NCC(C)C.
What is the InChIKey of (E)-2-methyl-N-(2-methylpropyl)but-2-enamide?
The InChIKey is RPFDZLFZNNCJEC-VMPITWQZSA-N. The full InChI is InChI=1S/C9H17NO/c1-5-8(4)9(11)10-6-7(2)3/h5,7H,6H2,1-4H3,(H,10,11)/b8-5+.
What are the key properties of (E)-2-methyl-N-(2-methylpropyl)but-2-enamide?
(E)-2-methyl-N-(2-methylpropyl)but-2-enamide has a molecular weight of 155.24 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-N-(2-methylpropyl)but-2-enamide is sourced from PubChem (CID 57408889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).