(Z)-N-propan-2-yl-2-propan-2-yloxybut-2-enamide

C10H19NO2 — CID 167189851

IUPAC(Z)-N-propan-2-yl-2-propan-2-yloxybut-2-enamide
SMILESC/C=C(\OC(C)C)C(=O)NC(C)C
InChIInChI=1S/C10H19NO2/c1-6-9(13-8(4)5)10(12)11-7(2)3/h6-8H,1-5H3,(H,11,12)/b9-6-
InChIKeyLTUJITNKPSQAMT-TWGQIWQCSA-N
MW185.27 g/mol
LogP1.84
Rot. Bonds4

About (Z)-N-propan-2-yl-2-propan-2-yloxybut-2-enamide

(Z)-N-propan-2-yl-2-propan-2-yloxybut-2-enamide (PubChem CID 167189851) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (Z)-N-propan-2-yl-2-propan-2-yloxybut-2-enamide.

Molecular Properties

Compound Name(Z)-N-propan-2-yl-2-propan-2-yloxybut-2-enamide
PubChem CID167189851
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(Z)-N-propan-2-yl-2-propan-2-yloxybut-2-enamide
SMILESC/C=C(\OC(C)C)C(=O)NC(C)C
InChIInChI=1S/C10H19NO2/c1-6-9(13-8(4)5)10(12)11-7(2)3/h6-8H,1-5H3,(H,11,12)/b9-6-
InChIKeyLTUJITNKPSQAMT-TWGQIWQCSA-N
XLogP1.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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-propan-2-yl-2-propan-2-yloxybut-2-enamide?
The IUPAC name of (Z)-N-propan-2-yl-2-propan-2-yloxybut-2-enamide (CID 167189851) is (Z)-N-propan-2-yl-2-propan-2-yloxybut-2-enamide.
What is the SMILES notation for (Z)-N-propan-2-yl-2-propan-2-yloxybut-2-enamide?
The canonical SMILES for (Z)-N-propan-2-yl-2-propan-2-yloxybut-2-enamide is C/C=C(\OC(C)C)C(=O)NC(C)C.
What is the InChIKey of (Z)-N-propan-2-yl-2-propan-2-yloxybut-2-enamide?
The InChIKey is LTUJITNKPSQAMT-TWGQIWQCSA-N. The full InChI is InChI=1S/C10H19NO2/c1-6-9(13-8(4)5)10(12)11-7(2)3/h6-8H,1-5H3,(H,11,12)/b9-6-.
What are the key properties of (Z)-N-propan-2-yl-2-propan-2-yloxybut-2-enamide?
(Z)-N-propan-2-yl-2-propan-2-yloxybut-2-enamide has a molecular weight of 185.27 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-propan-2-yl-2-propan-2-yloxybut-2-enamide is sourced from PubChem (CID 167189851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).