2-acetamido-3-methoxy-N-(2-methylidenebut-3-enyl)propanamide

C11H18N2O3 — CID 123745639

IUPAC2-acetamido-3-methoxy-N-(2-methylidenebut-3-enyl)propanamide
SMILESC=CC(=C)CNC(=O)C(COC)NC(C)=O
InChIInChI=1S/C11H18N2O3/c1-5-8(2)6-12-11(15)10(7-16-4)13-9(3)14/h5,10H,1-2,6-7H2,3-4H3,(H,12,15)(H,13,14)
InChIKeyCYDDZRZDVWZPNX-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.00
Rot. Bonds7

About 2-acetamido-3-methoxy-N-(2-methylidenebut-3-enyl)propanamide

2-acetamido-3-methoxy-N-(2-methylidenebut-3-enyl)propanamide (PubChem CID 123745639) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-acetamido-3-methoxy-N-(2-methylidenebut-3-enyl)propanamide.

Molecular Properties

Compound Name2-acetamido-3-methoxy-N-(2-methylidenebut-3-enyl)propanamide
PubChem CID123745639
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name2-acetamido-3-methoxy-N-(2-methylidenebut-3-enyl)propanamide
SMILESC=CC(=C)CNC(=O)C(COC)NC(C)=O
InChIInChI=1S/C11H18N2O3/c1-5-8(2)6-12-11(15)10(7-16-4)13-9(3)14/h5,10H,1-2,6-7H2,3-4H3,(H,12,15)(H,13,14)
InChIKeyCYDDZRZDVWZPNX-UHFFFAOYSA-N
XLogP-0.00
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-acetamido-3-methoxy-N-(2-methylidenebut-3-enyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-amino-N-[2-[[(2E,4E)-4,6-bis(trifluoromethyl)hepta-2,4,6-trienyl]amino]-2-oxoethyl]-3-methoxypropanamide
CID 144692966
4-[(3,3-Dimethylcyclopenta-1,4-dien-1-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one
CID 20589879
4-Cyclobut-2-en-1-yl-6-(methylamino)-1,4-oxazepan-5-one
CID 22984954
(2R)-2-acetamido-N-[(2E)-2-ethenylpenta-2,4-dienyl]-3-methoxypropanamide
CID 87061145
(2R)-2-acetamido-N-(cyclohexa-1,5-dien-1-ylmethyl)-3-methoxypropanamide
CID 90261543
2-acetamido-N-(2-ethylidenepent-3-enyl)-3-methoxypropanamide
CID 123602723
2-acetamido-3-methoxy-N-[[4-(methoxymethyl)cyclohexa-1,5-dien-1-yl]methyl]propanamide
CID 123817681
2-acetamido-N-(cyclohexa-1,3-dien-1-ylmethyl)-3-methoxypropanamide
CID 123897249
2-amino-3-methoxy-N-(2-methylhexa-2,4-dienyl)propanamide
CID 123913790
2-acetamido-N-(2-ethenylpenta-2,4-dienyl)-3-methoxypropanamide
CID 124010547
2-amino-N-[(Z)-3-chloro-2-[(Z)-prop-1-enyl]pent-2-enyl]-3-methoxypropanamide
CID 142183516
2-acetamido-N-[(2E)-2-ethenylpenta-2,4-dienyl]-3-hydroxypropanamide
CID 142314586

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-methoxy-N-(2-methylidenebut-3-enyl)propanamide?
The IUPAC name of 2-acetamido-3-methoxy-N-(2-methylidenebut-3-enyl)propanamide (CID 123745639) is 2-acetamido-3-methoxy-N-(2-methylidenebut-3-enyl)propanamide.
What is the SMILES notation for 2-acetamido-3-methoxy-N-(2-methylidenebut-3-enyl)propanamide?
The canonical SMILES for 2-acetamido-3-methoxy-N-(2-methylidenebut-3-enyl)propanamide is C=CC(=C)CNC(=O)C(COC)NC(C)=O.
What is the InChIKey of 2-acetamido-3-methoxy-N-(2-methylidenebut-3-enyl)propanamide?
The InChIKey is CYDDZRZDVWZPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-5-8(2)6-12-11(15)10(7-16-4)13-9(3)14/h5,10H,1-2,6-7H2,3-4H3,(H,12,15)(H,13,14).
What are the key properties of 2-acetamido-3-methoxy-N-(2-methylidenebut-3-enyl)propanamide?
2-acetamido-3-methoxy-N-(2-methylidenebut-3-enyl)propanamide has a molecular weight of 226.28 g/mol, XLogP of -0.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-methoxy-N-(2-methylidenebut-3-enyl)propanamide is sourced from PubChem (CID 123745639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).