(Z)-N-[2-[(2-methoxyacetyl)amino]ethyl]-2-methylbut-2-enamide

C10H18N2O3 — CID 142957795

IUPAC(Z)-N-[2-[(2-methoxyacetyl)amino]ethyl]-2-methylbut-2-enamide
SMILESC/C=C(/C)C(=O)NCCNC(=O)COC
InChIInChI=1S/C10H18N2O3/c1-4-8(2)10(14)12-6-5-11-9(13)7-15-3/h4H,5-7H2,1-3H3,(H,11,13)(H,12,14)/b8-4-
InChIKeyODXRNIAMNOCLSM-YWEYNIOJSA-N
MW214.26 g/mol
LogP-0.17
Rot. Bonds6

About (Z)-N-[2-[(2-methoxyacetyl)amino]ethyl]-2-methylbut-2-enamide

(Z)-N-[2-[(2-methoxyacetyl)amino]ethyl]-2-methylbut-2-enamide (PubChem CID 142957795) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is (Z)-N-[2-[(2-methoxyacetyl)amino]ethyl]-2-methylbut-2-enamide.

Molecular Properties

Compound Name(Z)-N-[2-[(2-methoxyacetyl)amino]ethyl]-2-methylbut-2-enamide
PubChem CID142957795
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name(Z)-N-[2-[(2-methoxyacetyl)amino]ethyl]-2-methylbut-2-enamide
SMILESC/C=C(/C)C(=O)NCCNC(=O)COC
InChIInChI=1S/C10H18N2O3/c1-4-8(2)10(14)12-6-5-11-9(13)7-15-3/h4H,5-7H2,1-3H3,(H,11,13)(H,12,14)/b8-4-
InChIKeyODXRNIAMNOCLSM-YWEYNIOJSA-N
XLogP-0.17
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-[2-[(2-methoxyacetyl)amino]ethyl]-2-methylbut-2-enamide?
The IUPAC name of (Z)-N-[2-[(2-methoxyacetyl)amino]ethyl]-2-methylbut-2-enamide (CID 142957795) is (Z)-N-[2-[(2-methoxyacetyl)amino]ethyl]-2-methylbut-2-enamide.
What is the SMILES notation for (Z)-N-[2-[(2-methoxyacetyl)amino]ethyl]-2-methylbut-2-enamide?
The canonical SMILES for (Z)-N-[2-[(2-methoxyacetyl)amino]ethyl]-2-methylbut-2-enamide is C/C=C(/C)C(=O)NCCNC(=O)COC.
What is the InChIKey of (Z)-N-[2-[(2-methoxyacetyl)amino]ethyl]-2-methylbut-2-enamide?
The InChIKey is ODXRNIAMNOCLSM-YWEYNIOJSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-4-8(2)10(14)12-6-5-11-9(13)7-15-3/h4H,5-7H2,1-3H3,(H,11,13)(H,12,14)/b8-4-.
What are the key properties of (Z)-N-[2-[(2-methoxyacetyl)amino]ethyl]-2-methylbut-2-enamide?
(Z)-N-[2-[(2-methoxyacetyl)amino]ethyl]-2-methylbut-2-enamide has a molecular weight of 214.26 g/mol, XLogP of -0.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[2-[(2-methoxyacetyl)amino]ethyl]-2-methylbut-2-enamide is sourced from PubChem (CID 142957795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).