3-methoxy-2-methyl-N-(2-methylidenepent-3-enyl)propanamide

C11H19NO2 — CID 123737644

IUPAC3-methoxy-2-methyl-N-(2-methylidenepent-3-enyl)propanamide
SMILESC=C(C=CC)CNC(=O)C(C)COC
InChIInChI=1S/C11H19NO2/c1-5-6-9(2)7-12-11(13)10(3)8-14-4/h5-6,10H,2,7-8H2,1,3-4H3,(H,12,13)
InChIKeyRHAPTKHGJAUGTE-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.52
Rot. Bonds6

About 3-methoxy-2-methyl-N-(2-methylidenepent-3-enyl)propanamide

3-methoxy-2-methyl-N-(2-methylidenepent-3-enyl)propanamide (PubChem CID 123737644) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 3-methoxy-2-methyl-N-(2-methylidenepent-3-enyl)propanamide.

Molecular Properties

Compound Name3-methoxy-2-methyl-N-(2-methylidenepent-3-enyl)propanamide
PubChem CID123737644
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name3-methoxy-2-methyl-N-(2-methylidenepent-3-enyl)propanamide
SMILESC=C(C=CC)CNC(=O)C(C)COC
InChIInChI=1S/C11H19NO2/c1-5-6-9(2)7-12-11(13)10(3)8-14-4/h5-6,10H,2,7-8H2,1,3-4H3,(H,12,13)
InChIKeyRHAPTKHGJAUGTE-UHFFFAOYSA-N
XLogP1.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methylpropyl 3-[[(3Z,5Z)-3,4-difluoro-2-methylidenehepta-3,5-dienyl]amino]-3-oxopropanoate
CID 166907267
3-(difluoromethoxy)-N-[(2E,4Z,6Z)-2-methylocta-2,4,6-trienyl]propanamide
CID 143690454
N-[(3Z,5E)-5-(acetamidomethyl)hepta-3,5-dienyl]acetamide
CID 88941229
N-[(2Z,4Z)-hepta-2,4,6-trienyl]-2-(methoxymethyl)-4-methyl-2-propan-2-ylpent-3-enamide
CID 89001655
N-[(2Z,4Z)-hepta-2,4,6-trienyl]-2-(methoxymethyl)-2,4-dimethylpent-3-enamide
CID 89119098
N-(cyclohexa-1,5-dien-1-ylmethyl)-2-methylpropanamide
CID 89222292
3-methoxy-2-methyl-N-[(2E,4Z)-2-methylhepta-2,4,6-trienyl]propanamide
CID 89425985
3-methoxy-2-methyl-N-[(Z)-2-methylidenepent-3-enyl]propanamide
CID 90131911
N-ethyl-4-formyl-2-methylhepta-2,3,5-trienamide
CID 123390613
N-(2-ethylhexa-2,4-dienyl)-2-methylpropanamide
CID 123618064
N-(cyclohexa-1,5-dien-1-ylmethyl)-3-methoxypropanamide
CID 123993882
N-[(Z,2E)-5-methyl-2-(2-methylpropylidene)hex-3-enyl]acetamide
CID 138496325

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methyl-N-(2-methylidenepent-3-enyl)propanamide?
The IUPAC name of 3-methoxy-2-methyl-N-(2-methylidenepent-3-enyl)propanamide (CID 123737644) is 3-methoxy-2-methyl-N-(2-methylidenepent-3-enyl)propanamide.
What is the SMILES notation for 3-methoxy-2-methyl-N-(2-methylidenepent-3-enyl)propanamide?
The canonical SMILES for 3-methoxy-2-methyl-N-(2-methylidenepent-3-enyl)propanamide is C=C(C=CC)CNC(=O)C(C)COC.
What is the InChIKey of 3-methoxy-2-methyl-N-(2-methylidenepent-3-enyl)propanamide?
The InChIKey is RHAPTKHGJAUGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-5-6-9(2)7-12-11(13)10(3)8-14-4/h5-6,10H,2,7-8H2,1,3-4H3,(H,12,13).
What are the key properties of 3-methoxy-2-methyl-N-(2-methylidenepent-3-enyl)propanamide?
3-methoxy-2-methyl-N-(2-methylidenepent-3-enyl)propanamide has a molecular weight of 197.28 g/mol, XLogP of 1.52, 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-methylidenepent-3-enyl)propanamide is sourced from PubChem (CID 123737644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).