3-methoxy-2-methyl-N-(2-methylpropyl)hex-4-enamide

C12H23NO2 — CID 123378652

IUPAC3-methoxy-2-methyl-N-(2-methylpropyl)hex-4-enamide
SMILESCC=CC(OC)C(C)C(=O)NCC(C)C
InChIInChI=1S/C12H23NO2/c1-6-7-11(15-5)10(4)12(14)13-8-9(2)3/h6-7,9-11H,8H2,1-5H3,(H,13,14)
InChIKeyAGNWVFIPLHAFSM-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.99
Rot. Bonds6

About 3-methoxy-2-methyl-N-(2-methylpropyl)hex-4-enamide

3-methoxy-2-methyl-N-(2-methylpropyl)hex-4-enamide (PubChem CID 123378652) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-methoxy-2-methyl-N-(2-methylpropyl)hex-4-enamide.

Molecular Properties

Compound Name3-methoxy-2-methyl-N-(2-methylpropyl)hex-4-enamide
PubChem CID123378652
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name3-methoxy-2-methyl-N-(2-methylpropyl)hex-4-enamide
SMILESCC=CC(OC)C(C)C(=O)NCC(C)C
InChIInChI=1S/C12H23NO2/c1-6-7-11(15-5)10(4)12(14)13-8-9(2)3/h6-7,9-11H,8H2,1-5H3,(H,13,14)
InChIKeyAGNWVFIPLHAFSM-UHFFFAOYSA-N
XLogP1.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3Z,5E)-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-3,5,15,17-tetraen-13-one
CID 70874881
2,8-Dioxa-12-azabicyclo[12.4.0]octadeca-3,5,15,17-tetraen-13-one
CID 77935922
N-formyl-2-(5-methyl-2,5-dihydrofuran-2-yl)propanamide
CID 89276773
3-[[(Z)-3-methoxy-2-methylhex-4-enoyl]amino]propanoic acid
CID 130350499
(E)-3-hydroxy-7-methyl-N-propan-2-yloct-4-enamide
CID 132061459
(7E,12Z)-9-methoxy-13-methyl-1-oxa-5-azacyclotetradeca-7,12-dien-4-one
CID 144515520
(4Z,9E)-8-methoxy-4-methyl-1-azacyclotetradeca-4,9-dien-2-one
CID 144515567
(E)-2,2-dimethyl-6-(2-methylpropoxy)-N-(2-methylpropyl)hex-4-enamide
CID 153306596
(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)-6-(2-methylpropoxy)-N-(2-methylpropyl)hex-4-enamide
CID 153306838
(Z)-N-(2,2-dimethylpropyl)-6-(2-methylpropoxy)hex-4-enamide
CID 156566750

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methyl-N-(2-methylpropyl)hex-4-enamide?
The IUPAC name of 3-methoxy-2-methyl-N-(2-methylpropyl)hex-4-enamide (CID 123378652) is 3-methoxy-2-methyl-N-(2-methylpropyl)hex-4-enamide.
What is the SMILES notation for 3-methoxy-2-methyl-N-(2-methylpropyl)hex-4-enamide?
The canonical SMILES for 3-methoxy-2-methyl-N-(2-methylpropyl)hex-4-enamide is CC=CC(OC)C(C)C(=O)NCC(C)C.
What is the InChIKey of 3-methoxy-2-methyl-N-(2-methylpropyl)hex-4-enamide?
The InChIKey is AGNWVFIPLHAFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-6-7-11(15-5)10(4)12(14)13-8-9(2)3/h6-7,9-11H,8H2,1-5H3,(H,13,14).
What are the key properties of 3-methoxy-2-methyl-N-(2-methylpropyl)hex-4-enamide?
3-methoxy-2-methyl-N-(2-methylpropyl)hex-4-enamide has a molecular weight of 213.32 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methyl-N-(2-methylpropyl)hex-4-enamide is sourced from PubChem (CID 123378652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).