(E,2S)-2-acetamido-N-(2-methylpropyl)-6-propoxyhex-4-enamide

C15H28N2O3 — CID 156566769

IUPAC(E,2S)-2-acetamido-N-(2-methylpropyl)-6-propoxyhex-4-enamide
SMILESCCCOC/C=C/C[C@H](NC(C)=O)C(=O)NCC(C)C
InChIInChI=1S/C15H28N2O3/c1-5-9-20-10-7-6-8-14(17-13(4)18)15(19)16-11-12(2)3/h6-7,12,14H,5,8-11H2,1-4H3,(H,16,19)(H,17,18)/b7-6+/t14-/m0/s1
InChIKeyLVTUZNBVXJTRIT-UZYOAWRESA-N
MW284.40 g/mol
LogP1.64
Rot. Bonds10

About (E,2S)-2-acetamido-N-(2-methylpropyl)-6-propoxyhex-4-enamide

(E,2S)-2-acetamido-N-(2-methylpropyl)-6-propoxyhex-4-enamide (PubChem CID 156566769) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is (E,2S)-2-acetamido-N-(2-methylpropyl)-6-propoxyhex-4-enamide.

Molecular Properties

Compound Name(E,2S)-2-acetamido-N-(2-methylpropyl)-6-propoxyhex-4-enamide
PubChem CID156566769
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name(E,2S)-2-acetamido-N-(2-methylpropyl)-6-propoxyhex-4-enamide
SMILESCCCOC/C=C/C[C@H](NC(C)=O)C(=O)NCC(C)C
InChIInChI=1S/C15H28N2O3/c1-5-9-20-10-7-6-8-14(17-13(4)18)15(19)16-11-12(2)3/h6-7,12,14H,5,8-11H2,1-4H3,(H,16,19)(H,17,18)/b7-6+/t14-/m0/s1
InChIKeyLVTUZNBVXJTRIT-UZYOAWRESA-N
XLogP1.64
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-(butanoylamino)-N-(3-fluoropropyl)-7-propoxynon-5-enamide
CID 138738679
(2S)-N-[(2S)-1-[[(E,3S)-6-methoxy-2,5-dimethylhex-4-en-3-yl]-methylamino]-3,3-dimethyl-1-oxobutan-2-yl]-3,3-dimethyl-2-(methylamino)butanamide
CID 58669385
6-Methoxy-2-(propanoylamino)hex-4-enamide
CID 90723504
(2S)-N-[(2S)-1-[[(3S)-6-methoxy-2,5-dimethylhex-4-en-3-yl]-methylamino]-3,3-dimethyl-1-oxobutan-2-yl]-3,3-dimethyl-2-(methylamino)butanamide
CID 90874775
4,4-dimethylpent-2-enyl N-[(2S,3R)-1-amino-3-methyl-1-oxopent-4-en-2-yl]carbamate
CID 141754259
(2S)-2-amino-N-[(E,3S)-6-ethoxy-2,5-dimethylhex-4-en-3-yl]-N,3-dimethylbutanamide
CID 143023877
2-methyl-N-[(E)-5-(2-methylpropoxy)pent-3-enyl]propanamide
CID 153306559
(Z)-6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)hex-4-enamide
CID 153306745
2-methyl-N-[(E)-7-(2-methylpropoxy)hept-5-enyl]propanamide
CID 153306750
(E,2S)-2-acetamido-6-(2-methylpropoxy)-N-(2-methylpropyl)hex-4-enamide
CID 153306836
(E)-6-(2-methylpropoxy)-N-(2-methylpropyl)hex-4-enamide
CID 153306838
2-methyl-N-[(E)-5-propoxypent-3-enyl]propanamide
CID 156566704

Frequently Asked Questions

What is the IUPAC name of (E,2S)-2-acetamido-N-(2-methylpropyl)-6-propoxyhex-4-enamide?
The IUPAC name of (E,2S)-2-acetamido-N-(2-methylpropyl)-6-propoxyhex-4-enamide (CID 156566769) is (E,2S)-2-acetamido-N-(2-methylpropyl)-6-propoxyhex-4-enamide.
What is the SMILES notation for (E,2S)-2-acetamido-N-(2-methylpropyl)-6-propoxyhex-4-enamide?
The canonical SMILES for (E,2S)-2-acetamido-N-(2-methylpropyl)-6-propoxyhex-4-enamide is CCCOC/C=C/C[C@H](NC(C)=O)C(=O)NCC(C)C.
What is the InChIKey of (E,2S)-2-acetamido-N-(2-methylpropyl)-6-propoxyhex-4-enamide?
The InChIKey is LVTUZNBVXJTRIT-UZYOAWRESA-N. The full InChI is InChI=1S/C15H28N2O3/c1-5-9-20-10-7-6-8-14(17-13(4)18)15(19)16-11-12(2)3/h6-7,12,14H,5,8-11H2,1-4H3,(H,16,19)(H,17,18)/b7-6+/t14-/m0/s1.
What are the key properties of (E,2S)-2-acetamido-N-(2-methylpropyl)-6-propoxyhex-4-enamide?
(E,2S)-2-acetamido-N-(2-methylpropyl)-6-propoxyhex-4-enamide has a molecular weight of 284.40 g/mol, XLogP of 1.64, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S)-2-acetamido-N-(2-methylpropyl)-6-propoxyhex-4-enamide is sourced from PubChem (CID 156566769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).