N-ethyl-2-methyl-N-(oxiran-2-ylmethyl)but-2-enamide

C10H17NO2 — CID 173404632

IUPACN-ethyl-2-methyl-N-(oxiran-2-ylmethyl)but-2-enamide
SMILESCC=C(C)C(=O)N(CC)CC1CO1
InChIInChI=1S/C10H17NO2/c1-4-8(3)10(12)11(5-2)6-9-7-13-9/h4,9H,5-7H2,1-3H3
InChIKeyRXIPCBURRVDAON-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.20
Rot. Bonds4

About N-ethyl-2-methyl-N-(oxiran-2-ylmethyl)but-2-enamide

N-ethyl-2-methyl-N-(oxiran-2-ylmethyl)but-2-enamide (PubChem CID 173404632) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is N-ethyl-2-methyl-N-(oxiran-2-ylmethyl)but-2-enamide.

Molecular Properties

Compound NameN-ethyl-2-methyl-N-(oxiran-2-ylmethyl)but-2-enamide
PubChem CID173404632
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC NameN-ethyl-2-methyl-N-(oxiran-2-ylmethyl)but-2-enamide
SMILESCC=C(C)C(=O)N(CC)CC1CO1
InChIInChI=1S/C10H17NO2/c1-4-8(3)10(12)11(5-2)6-9-7-13-9/h4,9H,5-7H2,1-3H3
InChIKeyRXIPCBURRVDAON-UHFFFAOYSA-N
XLogP1.20
TPSA32.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze N-ethyl-2-methyl-N-(oxiran-2-ylmethyl)but-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

1-ethyl-1-(oxiran-2-ylmethyl)urea
CID 141285145
1,1,3,3-tetrakis(oxiran-2-ylmethyl)urea
CID 21422545
2-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)but-2-enamide
CID 173429156
3-[ethyl(2-methylbut-2-enoyl)amino]propanoic acid
CID 103925566
2-methylbut-2-enoic acid;2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxymethyl]oxirane
CID 88716952
2-(oxiran-2-ylmethoxy)ethyl 2-methylbut-2-enoate
CID 174745947
2-chloro-N,N-bis(oxiran-2-ylmethyl)prop-2-enamide
CID 88735319
benzyl N-ethyl-N-[[(2R)-oxiran-2-yl]methyl]carbamate
CID 88573099
N-ethyl-N-(oxiran-2-ylmethoxy)-2-oxopropanamide
CID 174256719
3-amino-N,N-diethyl-2-methylprop-2-enamide
CID 173332557
(E)-N,N-bis(oxiran-2-ylmethyl)dec-2-enamide
CID 88736405
2-(oxiran-2-ylmethyl)prop-2-enoyl 2-methylbut-2-enoate
CID 173148627

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-N-(oxiran-2-ylmethyl)but-2-enamide?
The IUPAC name of N-ethyl-2-methyl-N-(oxiran-2-ylmethyl)but-2-enamide (CID 173404632) is N-ethyl-2-methyl-N-(oxiran-2-ylmethyl)but-2-enamide.
What is the SMILES notation for N-ethyl-2-methyl-N-(oxiran-2-ylmethyl)but-2-enamide?
The canonical SMILES for N-ethyl-2-methyl-N-(oxiran-2-ylmethyl)but-2-enamide is CC=C(C)C(=O)N(CC)CC1CO1.
What is the InChIKey of N-ethyl-2-methyl-N-(oxiran-2-ylmethyl)but-2-enamide?
The InChIKey is RXIPCBURRVDAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-4-8(3)10(12)11(5-2)6-9-7-13-9/h4,9H,5-7H2,1-3H3.
What are the key properties of N-ethyl-2-methyl-N-(oxiran-2-ylmethyl)but-2-enamide?
N-ethyl-2-methyl-N-(oxiran-2-ylmethyl)but-2-enamide has a molecular weight of 183.25 g/mol, XLogP of 1.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-N-(oxiran-2-ylmethyl)but-2-enamide is sourced from PubChem (CID 173404632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).