N-(1-amino-2-methylpropan-2-yl)-2-but-3-enoxypropanamide

C11H22N2O2 — CID 119525095

IUPACN-(1-amino-2-methylpropan-2-yl)-2-but-3-enoxypropanamide
SMILESC=CCCOC(C)C(=O)NC(C)(C)CN
InChIInChI=1S/C11H22N2O2/c1-5-6-7-15-9(2)10(14)13-11(3,4)8-12/h5,9H,1,6-8,12H2,2-4H3,(H,13,14)
InChIKeyVCUAXQJIPNYSQR-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.82
Rot. Bonds7

About N-(1-amino-2-methylpropan-2-yl)-2-but-3-enoxypropanamide

N-(1-amino-2-methylpropan-2-yl)-2-but-3-enoxypropanamide (PubChem CID 119525095) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-2-but-3-enoxypropanamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-2-but-3-enoxypropanamide
PubChem CID119525095
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-2-but-3-enoxypropanamide
SMILESC=CCCOC(C)C(=O)NC(C)(C)CN
InChIInChI=1S/C11H22N2O2/c1-5-6-7-15-9(2)10(14)13-11(3,4)8-12/h5,9H,1,6-8,12H2,2-4H3,(H,13,14)
InChIKeyVCUAXQJIPNYSQR-UHFFFAOYSA-N
XLogP0.82
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.82
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'}

Analyze N-(1-amino-2-methylpropan-2-yl)-2-but-3-enoxypropanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2-but-3-enoxypropanamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2-but-3-enoxypropanamide (CID 119525095) is N-(1-amino-2-methylpropan-2-yl)-2-but-3-enoxypropanamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-2-but-3-enoxypropanamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-2-but-3-enoxypropanamide is C=CCCOC(C)C(=O)NC(C)(C)CN.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-2-but-3-enoxypropanamide?
The InChIKey is VCUAXQJIPNYSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-5-6-7-15-9(2)10(14)13-11(3,4)8-12/h5,9H,1,6-8,12H2,2-4H3,(H,13,14).
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-2-but-3-enoxypropanamide?
N-(1-amino-2-methylpropan-2-yl)-2-but-3-enoxypropanamide has a molecular weight of 214.31 g/mol, XLogP of 0.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-2-but-3-enoxypropanamide is sourced from PubChem (CID 119525095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).