ethane;N-[(E)-C-ethyl-N-methoxycarbonimidoyl]-2-methylpropanamide

C10H22N2O2 — CID 143223997

IUPACethane;N-[(E)-C-ethyl-N-methoxycarbonimidoyl]-2-methylpropanamide
SMILESCC.CC/C(=N\OC)NC(=O)C(C)C
InChIInChI=1S/C8H16N2O2.C2H6/c1-5-7(10-12-4)9-8(11)6(2)3;1-2/h6H,5H2,1-4H3,(H,9,10,11);1-2H3
InChIKeyWVMPZURNIHWUAU-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.15
Rot. Bonds3

About ethane;N-[(E)-C-ethyl-N-methoxycarbonimidoyl]-2-methylpropanamide

ethane;N-[(E)-C-ethyl-N-methoxycarbonimidoyl]-2-methylpropanamide (PubChem CID 143223997) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is ethane;N-[(E)-C-ethyl-N-methoxycarbonimidoyl]-2-methylpropanamide.

Molecular Properties

Compound Nameethane;N-[(E)-C-ethyl-N-methoxycarbonimidoyl]-2-methylpropanamide
PubChem CID143223997
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Nameethane;N-[(E)-C-ethyl-N-methoxycarbonimidoyl]-2-methylpropanamide
SMILESCC.CC/C(=N\OC)NC(=O)C(C)C
InChIInChI=1S/C8H16N2O2.C2H6/c1-5-7(10-12-4)9-8(11)6(2)3;1-2/h6H,5H2,1-4H3,(H,9,10,11);1-2H3
InChIKeyWVMPZURNIHWUAU-UHFFFAOYSA-N
XLogP2.15
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-propanoylpropanamide
CID 13378668
methyl N-(N-ethoxy-C-ethylcarbonimidoyl)carbamate
CID 135514855
methyl N-(2-methylpropanoyl)carbamate
CID 59279110
N-methoxy-2-methylpentan-3-imine
CID 72584290
(E)-N-methoxybutan-2-imine;methyl acetate
CID 91150497
N'-(2-methylpropanoyl)-N-propan-2-ylpropanediamide
CID 178083708
ethyl 2-methoxyimino-5-methyl-4-oxohexanoate
CID 86632548
N-(2-methylpropanoyl)pyrrolidine-1-carboxamide
CID 91389730
methyl N-[(E)-C-ethyl-N-phenylmethoxycarbonimidoyl]carbamate
CID 135478845
N-carbamoyl-2-methylpropanamide
CID 541584
N-ethoxy-2-methylpropanamide
CID 60717901
N-(2-methylpropanoyl)heptanamide
CID 150179955

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(E)-C-ethyl-N-methoxycarbonimidoyl]-2-methylpropanamide?
The IUPAC name of ethane;N-[(E)-C-ethyl-N-methoxycarbonimidoyl]-2-methylpropanamide (CID 143223997) is ethane;N-[(E)-C-ethyl-N-methoxycarbonimidoyl]-2-methylpropanamide.
What is the SMILES notation for ethane;N-[(E)-C-ethyl-N-methoxycarbonimidoyl]-2-methylpropanamide?
The canonical SMILES for ethane;N-[(E)-C-ethyl-N-methoxycarbonimidoyl]-2-methylpropanamide is CC.CC/C(=N\OC)NC(=O)C(C)C.
What is the InChIKey of ethane;N-[(E)-C-ethyl-N-methoxycarbonimidoyl]-2-methylpropanamide?
The InChIKey is WVMPZURNIHWUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2.C2H6/c1-5-7(10-12-4)9-8(11)6(2)3;1-2/h6H,5H2,1-4H3,(H,9,10,11);1-2H3.
What are the key properties of ethane;N-[(E)-C-ethyl-N-methoxycarbonimidoyl]-2-methylpropanamide?
ethane;N-[(E)-C-ethyl-N-methoxycarbonimidoyl]-2-methylpropanamide has a molecular weight of 202.30 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(E)-C-ethyl-N-methoxycarbonimidoyl]-2-methylpropanamide is sourced from PubChem (CID 143223997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).