N-(2-methylprop-2-enoyl)-4-propan-2-yloxybut-2-enamide

C11H17NO3 — CID 139892330

IUPACN-(2-methylprop-2-enoyl)-4-propan-2-yloxybut-2-enamide
SMILESC=C(C)C(=O)NC(=O)C=CCOC(C)C
InChIInChI=1S/C11H17NO3/c1-8(2)11(14)12-10(13)6-5-7-15-9(3)4/h5-6,9H,1,7H2,2-4H3,(H,12,13,14)
InChIKeyVWLKDBPHKRTVFB-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.19
Rot. Bonds5

About N-(2-methylprop-2-enoyl)-4-propan-2-yloxybut-2-enamide

N-(2-methylprop-2-enoyl)-4-propan-2-yloxybut-2-enamide (PubChem CID 139892330) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is N-(2-methylprop-2-enoyl)-4-propan-2-yloxybut-2-enamide.

Molecular Properties

Compound NameN-(2-methylprop-2-enoyl)-4-propan-2-yloxybut-2-enamide
PubChem CID139892330
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC NameN-(2-methylprop-2-enoyl)-4-propan-2-yloxybut-2-enamide
SMILESC=C(C)C(=O)NC(=O)C=CCOC(C)C
InChIInChI=1S/C11H17NO3/c1-8(2)11(14)12-10(13)6-5-7-15-9(3)4/h5-6,9H,1,7H2,2-4H3,(H,12,13,14)
InChIKeyVWLKDBPHKRTVFB-UHFFFAOYSA-N
XLogP1.19
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylprop-2-enoyl)-4-propan-2-yloxybut-2-enamide?
The IUPAC name of N-(2-methylprop-2-enoyl)-4-propan-2-yloxybut-2-enamide (CID 139892330) is N-(2-methylprop-2-enoyl)-4-propan-2-yloxybut-2-enamide.
What is the SMILES notation for N-(2-methylprop-2-enoyl)-4-propan-2-yloxybut-2-enamide?
The canonical SMILES for N-(2-methylprop-2-enoyl)-4-propan-2-yloxybut-2-enamide is C=C(C)C(=O)NC(=O)C=CCOC(C)C.
What is the InChIKey of N-(2-methylprop-2-enoyl)-4-propan-2-yloxybut-2-enamide?
The InChIKey is VWLKDBPHKRTVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-8(2)11(14)12-10(13)6-5-7-15-9(3)4/h5-6,9H,1,7H2,2-4H3,(H,12,13,14).
What are the key properties of N-(2-methylprop-2-enoyl)-4-propan-2-yloxybut-2-enamide?
N-(2-methylprop-2-enoyl)-4-propan-2-yloxybut-2-enamide has a molecular weight of 211.26 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylprop-2-enoyl)-4-propan-2-yloxybut-2-enamide is sourced from PubChem (CID 139892330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).