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

C13H23NO2 — CID 20790199

IUPACN-tert-butyl-3-cyclopropyl-2-prop-2-enoxypropanamide
SMILESC=CCOC(CC1CC1)C(=O)NC(C)(C)C
InChIInChI=1S/C13H23NO2/c1-5-8-16-11(9-10-6-7-10)12(15)14-13(2,3)4/h5,10-11H,1,6-9H2,2-4H3,(H,14,15)
InChIKeyPBKHXMOMYNCDAJ-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.27
Rot. Bonds6

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

N-tert-butyl-3-cyclopropyl-2-prop-2-enoxypropanamide (PubChem CID 20790199) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is N-tert-butyl-3-cyclopropyl-2-prop-2-enoxypropanamide.

Molecular Properties

Compound NameN-tert-butyl-3-cyclopropyl-2-prop-2-enoxypropanamide
PubChem CID20790199
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC NameN-tert-butyl-3-cyclopropyl-2-prop-2-enoxypropanamide
SMILESC=CCOC(CC1CC1)C(=O)NC(C)(C)C
InChIInChI=1S/C13H23NO2/c1-5-8-16-11(9-10-6-7-10)12(15)14-13(2,3)4/h5,10-11H,1,6-9H2,2-4H3,(H,14,15)
InChIKeyPBKHXMOMYNCDAJ-UHFFFAOYSA-N
XLogP2.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-3-(2-methylcyclopropyl)-2-prop-2-enoxypropanamide
CID 20790195
N-tert-butyl-3-cyclobutyl-2-prop-2-enoxypropanamide
CID 20790197
N-tert-butyl-3-cyclopentyl-2-prop-2-enoxypropanamide
CID 20790198
N-tert-butyl-3-methyl-2-prop-2-enoxybutanamide
CID 20790200
N-tert-butyl-4,4-dimethyl-2-prop-2-enoxypentanamide
CID 20790201
N-tert-butyl-3-cyclopropyl-2-ethoxypropanamide
CID 20790263
N-tert-butyl-3-cyclopropyl-2-propoxypropanamide
CID 20790264
3-cyclopropyl-N-propan-2-yl-2-prop-2-enoxypropanamide
CID 21366278
3-(2-methylcyclopropyl)-N-propan-2-yl-2-prop-2-enoxypropanamide
CID 21366279
3-cyclopropyl-N-ethyl-2-prop-2-enoxypropanamide
CID 89093021
N-ethyl-3-(2-methylcyclopropyl)-2-prop-2-enoxypropanamide
CID 89093767
3-cyclopropyl-N-methyl-2-prop-2-enoxypropanamide
CID 89102890

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-cyclopropyl-2-prop-2-enoxypropanamide?
The IUPAC name of N-tert-butyl-3-cyclopropyl-2-prop-2-enoxypropanamide (CID 20790199) is N-tert-butyl-3-cyclopropyl-2-prop-2-enoxypropanamide.
What is the SMILES notation for N-tert-butyl-3-cyclopropyl-2-prop-2-enoxypropanamide?
The canonical SMILES for N-tert-butyl-3-cyclopropyl-2-prop-2-enoxypropanamide is C=CCOC(CC1CC1)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-3-cyclopropyl-2-prop-2-enoxypropanamide?
The InChIKey is PBKHXMOMYNCDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-5-8-16-11(9-10-6-7-10)12(15)14-13(2,3)4/h5,10-11H,1,6-9H2,2-4H3,(H,14,15).
What are the key properties of N-tert-butyl-3-cyclopropyl-2-prop-2-enoxypropanamide?
N-tert-butyl-3-cyclopropyl-2-prop-2-enoxypropanamide has a molecular weight of 225.33 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-cyclopropyl-2-prop-2-enoxypropanamide is sourced from PubChem (CID 20790199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).