N-tert-butyl-3-prop-2-enoxypropanamide

C10H19NO2 — CID 59532832

IUPACN-tert-butyl-3-prop-2-enoxypropanamide
SMILESC=CCOCCC(=O)NC(C)(C)C
InChIInChI=1S/C10H19NO2/c1-5-7-13-8-6-9(12)11-10(2,3)4/h5H,1,6-8H2,2-4H3,(H,11,12)
InChIKeyLOJWBIOQAYHMCA-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.49
Rot. Bonds5

About N-tert-butyl-3-prop-2-enoxypropanamide

N-tert-butyl-3-prop-2-enoxypropanamide (PubChem CID 59532832) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is N-tert-butyl-3-prop-2-enoxypropanamide.

Molecular Properties

Compound NameN-tert-butyl-3-prop-2-enoxypropanamide
PubChem CID59532832
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC NameN-tert-butyl-3-prop-2-enoxypropanamide
SMILESC=CCOCCC(=O)NC(C)(C)C
InChIInChI=1S/C10H19NO2/c1-5-7-13-8-6-9(12)11-10(2,3)4/h5H,1,6-8H2,2-4H3,(H,11,12)
InChIKeyLOJWBIOQAYHMCA-UHFFFAOYSA-N
XLogP1.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-prop-2-enoxypropanamide?
The IUPAC name of N-tert-butyl-3-prop-2-enoxypropanamide (CID 59532832) is N-tert-butyl-3-prop-2-enoxypropanamide.
What is the SMILES notation for N-tert-butyl-3-prop-2-enoxypropanamide?
The canonical SMILES for N-tert-butyl-3-prop-2-enoxypropanamide is C=CCOCCC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-3-prop-2-enoxypropanamide?
The InChIKey is LOJWBIOQAYHMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-5-7-13-8-6-9(12)11-10(2,3)4/h5H,1,6-8H2,2-4H3,(H,11,12).
What are the key properties of N-tert-butyl-3-prop-2-enoxypropanamide?
N-tert-butyl-3-prop-2-enoxypropanamide has a molecular weight of 185.27 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-prop-2-enoxypropanamide is sourced from PubChem (CID 59532832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).