2-methyl-N-(2-propan-2-yloxyethyl)prop-2-enamide

C9H17NO2 — CID 25230595

IUPAC2-methyl-N-(2-propan-2-yloxyethyl)prop-2-enamide
SMILESC=C(C)C(=O)NCCOC(C)C
InChIInChI=1S/C9H17NO2/c1-7(2)9(11)10-5-6-12-8(3)4/h8H,1,5-6H2,2-4H3,(H,10,11)
InChIKeyZKYMKPSXAJIHEC-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.10
Rot. Bonds5

About 2-methyl-N-(2-propan-2-yloxyethyl)prop-2-enamide

2-methyl-N-(2-propan-2-yloxyethyl)prop-2-enamide (PubChem CID 25230595) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-methyl-N-(2-propan-2-yloxyethyl)prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-(2-propan-2-yloxyethyl)prop-2-enamide
PubChem CID25230595
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-methyl-N-(2-propan-2-yloxyethyl)prop-2-enamide
SMILESC=C(C)C(=O)NCCOC(C)C
InChIInChI=1S/C9H17NO2/c1-7(2)9(11)10-5-6-12-8(3)4/h8H,1,5-6H2,2-4H3,(H,10,11)
InChIKeyZKYMKPSXAJIHEC-UHFFFAOYSA-N
XLogP1.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.10
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 2-methyl-N-(2-propan-2-yloxyethyl)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

Related Compounds

N-(2-hydroxypropyl)methacrylamide
CID 38622
n,o-Bismethacryloyl ethanolamine
CID 15312507
N,N'-(2-hydroxypropane-1,3-diyl)bis(2-methylprop-2-enamide)
CID 20205156
2-methyl-N-(oxiran-2-ylmethyl)prop-2-enamide
CID 15646850
N-(2-butanoyloxyethyl) methacrylamide
CID 135363148
N-(2-(2-(2-(2-azidoethoxy)ethoxy)ethoxy)ethyl) methacrylamide
CID 166176636
2-methyl-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 10330366
N-(3-methoxypropyl)-2-methylprop-2-enamide
CID 9989479
[2-Hydroxy-3-(2-methylprop-2-enoylamino)propyl]-trimethylazanium
CID 10214553
N-(4-butoxybutyl)-2-methylprop-2-enamide
CID 13587553
N-(2-Ethoxyethyl)-2-methylprop-2-enamide
CID 13955249
N-(1-methoxybutan-2-yl)-2-methylprop-2-enamide
CID 14419450

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-propan-2-yloxyethyl)prop-2-enamide?
The IUPAC name of 2-methyl-N-(2-propan-2-yloxyethyl)prop-2-enamide (CID 25230595) is 2-methyl-N-(2-propan-2-yloxyethyl)prop-2-enamide.
What is the SMILES notation for 2-methyl-N-(2-propan-2-yloxyethyl)prop-2-enamide?
The canonical SMILES for 2-methyl-N-(2-propan-2-yloxyethyl)prop-2-enamide is C=C(C)C(=O)NCCOC(C)C.
What is the InChIKey of 2-methyl-N-(2-propan-2-yloxyethyl)prop-2-enamide?
The InChIKey is ZKYMKPSXAJIHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7(2)9(11)10-5-6-12-8(3)4/h8H,1,5-6H2,2-4H3,(H,10,11).
What are the key properties of 2-methyl-N-(2-propan-2-yloxyethyl)prop-2-enamide?
2-methyl-N-(2-propan-2-yloxyethyl)prop-2-enamide has a molecular weight of 171.24 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-propan-2-yloxyethyl)prop-2-enamide is sourced from PubChem (CID 25230595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).