N-[3-(2-methylpropoxy)propyl]prop-2-enamide

C10H19NO2 — CID 61250863

IUPACN-[3-(2-methylpropoxy)propyl]prop-2-enamide
SMILESC=CC(=O)NCCCOCC(C)C
InChIInChI=1S/C10H19NO2/c1-4-10(12)11-6-5-7-13-8-9(2)3/h4,9H,1,5-8H2,2-3H3,(H,11,12)
InChIKeyMNYSIPJUZUJRML-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.35
Rot. Bonds7

About N-[3-(2-methylpropoxy)propyl]prop-2-enamide

N-[3-(2-methylpropoxy)propyl]prop-2-enamide (PubChem CID 61250863) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is N-[3-(2-methylpropoxy)propyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-(2-methylpropoxy)propyl]prop-2-enamide
PubChem CID61250863
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC NameN-[3-(2-methylpropoxy)propyl]prop-2-enamide
SMILESC=CC(=O)NCCCOCC(C)C
InChIInChI=1S/C10H19NO2/c1-4-10(12)11-6-5-7-13-8-9(2)3/h4,9H,1,5-8H2,2-3H3,(H,11,12)
InChIKeyMNYSIPJUZUJRML-UHFFFAOYSA-N
XLogP1.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[3-(2-methylpropoxy)propyl]prop-2-enamide 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-[3-(2-methylpropoxy)propyl]prop-2-enamide?
The IUPAC name of N-[3-(2-methylpropoxy)propyl]prop-2-enamide (CID 61250863) is N-[3-(2-methylpropoxy)propyl]prop-2-enamide.
What is the SMILES notation for N-[3-(2-methylpropoxy)propyl]prop-2-enamide?
The canonical SMILES for N-[3-(2-methylpropoxy)propyl]prop-2-enamide is C=CC(=O)NCCCOCC(C)C.
What is the InChIKey of N-[3-(2-methylpropoxy)propyl]prop-2-enamide?
The InChIKey is MNYSIPJUZUJRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-4-10(12)11-6-5-7-13-8-9(2)3/h4,9H,1,5-8H2,2-3H3,(H,11,12).
What are the key properties of N-[3-(2-methylpropoxy)propyl]prop-2-enamide?
N-[3-(2-methylpropoxy)propyl]prop-2-enamide has a molecular weight of 185.27 g/mol, XLogP of 1.35, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpropoxy)propyl]prop-2-enamide is sourced from PubChem (CID 61250863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).