N-tert-butyl-3-cyclobutyl-2-prop-2-enoxypropanamide;N-tert-butyl-3-cyclopropyl-2-prop-2-enoxypropanamide;N-tert-butyl-3-(2-methylcyclopropyl)-2-prop-2-enoxypropanamide

C41H73N3O6 — CID 157461102

IUPACN-tert-butyl-3-cyclobutyl-2-prop-2-enoxypropanamide;N-tert-butyl-3-cyclopropyl-2-prop-2-enoxypropanamide;N-tert-butyl-3-(2-methylcyclopropyl)-2-prop-2-enoxypropanamide
SMILESC=CCOC(CC1CC1)C(=O)NC(C)(C)C.C=CCOC(CC1CC1C)C(=O)NC(C)(C)C.C=CCOC(CC1CCC1)C(=O)NC(C)(C)C
InChIInChI=1S/2C14H25NO2.C13H23NO2/c1-6-7-17-12(9-11-8-10(11)2)13(16)15-14(3,4)5;1-5-9-17-12(10-11-7-6-8-11)13(16)15-14(2,3)4;1-5-8-16-11(9-10-6-7-10)12(15)14-13(2,3)4/h6,10-12H,1,7-9H2,2-5H3,(H,15,16);5,11-12H,1,6-10H2,2-4H3,(H,15,16);5,10-11H,1,6-9H2,2-4H3,(H,14,15)
InChIKeyBTXUSVLYFVEPPD-UHFFFAOYSA-N
MW704.05 g/mol
LogP7.45
Rot. Bonds18

About N-tert-butyl-3-cyclobutyl-2-prop-2-enoxypropanamide;N-tert-butyl-3-cyclopropyl-2-prop-2-enoxypropanamide;N-tert-butyl-3-(2-methylcyclopropyl)-2-prop-2-enoxypropanamide

N-tert-butyl-3-cyclobutyl-2-prop-2-enoxypropanamide;N-tert-butyl-3-cyclopropyl-2-prop-2-enoxypropanamide;N-tert-butyl-3-(2-methylcyclopropyl)-2-prop-2-enoxypropanamide (PubChem CID 157461102) has the molecular formula C41H73N3O6 and a molecular weight of 704.05 g/mol. Its IUPAC name is N-tert-butyl-3-cyclobutyl-2-prop-2-enoxypropanamide;N-tert-butyl-3-cyclopropyl-2-prop-2-enoxypropanamide;N-tert-butyl-3-(2-methylcyclopropyl)-2-prop-2-enoxypropanamide.

Molecular Properties

Compound NameN-tert-butyl-3-cyclobutyl-2-prop-2-enoxypropanamide;N-tert-butyl-3-cyclopropyl-2-prop-2-enoxypropanamide;N-tert-butyl-3-(2-methylcyclopropyl)-2-prop-2-enoxypropanamide
PubChem CID157461102
Molecular FormulaC41H73N3O6
Molecular Weight704.05 g/mol
Exact Mass703.55
IUPAC NameN-tert-butyl-3-cyclobutyl-2-prop-2-enoxypropanamide;N-tert-butyl-3-cyclopropyl-2-prop-2-enoxypropanamide;N-tert-butyl-3-(2-methylcyclopropyl)-2-prop-2-enoxypropanamide
SMILESC=CCOC(CC1CC1)C(=O)NC(C)(C)C.C=CCOC(CC1CC1C)C(=O)NC(C)(C)C.C=CCOC(CC1CCC1)C(=O)NC(C)(C)C
InChIInChI=1S/2C14H25NO2.C13H23NO2/c1-6-7-17-12(9-11-8-10(11)2)13(16)15-14(3,4)5;1-5-9-17-12(10-11-7-6-8-11)13(16)15-14(2,3)4;1-5-8-16-11(9-10-6-7-10)12(15)14-13(2,3)4/h6,10-12H,1,7-9H2,2-5H3,(H,15,16);5,11-12H,1,6-10H2,2-4H3,(H,15,16);5,10-11H,1,6-9H2,2-4H3,(H,14,15)
InChIKeyBTXUSVLYFVEPPD-UHFFFAOYSA-N
XLogP7.45
TPSA114.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.05
LogP ≤ 57.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-cyclobutyl-2-prop-2-enoxypropanamide;N-tert-butyl-3-cyclopropyl-2-prop-2-enoxypropanamide;N-tert-butyl-3-(2-methylcyclopropyl)-2-prop-2-enoxypropanamide?
The IUPAC name of N-tert-butyl-3-cyclobutyl-2-prop-2-enoxypropanamide;N-tert-butyl-3-cyclopropyl-2-prop-2-enoxypropanamide;N-tert-butyl-3-(2-methylcyclopropyl)-2-prop-2-enoxypropanamide (CID 157461102) is N-tert-butyl-3-cyclobutyl-2-prop-2-enoxypropanamide;N-tert-butyl-3-cyclopropyl-2-prop-2-enoxypropanamide;N-tert-butyl-3-(2-methylcyclopropyl)-2-prop-2-enoxypropanamide.
What is the SMILES notation for N-tert-butyl-3-cyclobutyl-2-prop-2-enoxypropanamide;N-tert-butyl-3-cyclopropyl-2-prop-2-enoxypropanamide;N-tert-butyl-3-(2-methylcyclopropyl)-2-prop-2-enoxypropanamide?
The canonical SMILES for N-tert-butyl-3-cyclobutyl-2-prop-2-enoxypropanamide;N-tert-butyl-3-cyclopropyl-2-prop-2-enoxypropanamide;N-tert-butyl-3-(2-methylcyclopropyl)-2-prop-2-enoxypropanamide is C=CCOC(CC1CC1)C(=O)NC(C)(C)C.C=CCOC(CC1CC1C)C(=O)NC(C)(C)C.C=CCOC(CC1CCC1)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-3-cyclobutyl-2-prop-2-enoxypropanamide;N-tert-butyl-3-cyclopropyl-2-prop-2-enoxypropanamide;N-tert-butyl-3-(2-methylcyclopropyl)-2-prop-2-enoxypropanamide?
The InChIKey is BTXUSVLYFVEPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H25NO2.C13H23NO2/c1-6-7-17-12(9-11-8-10(11)2)13(16)15-14(3,4)5;1-5-9-17-12(10-11-7-6-8-11)13(16)15-14(2,3)4;1-5-8-16-11(9-10-6-7-10)12(15)14-13(2,3)4/h6,10-12H,1,7-9H2,2-5H3,(H,15,16);5,11-12H,1,6-10H2,2-4H3,(H,15,16);5,10-11H,1,6-9H2,2-4H3,(H,14,15).
What are the key properties of N-tert-butyl-3-cyclobutyl-2-prop-2-enoxypropanamide;N-tert-butyl-3-cyclopropyl-2-prop-2-enoxypropanamide;N-tert-butyl-3-(2-methylcyclopropyl)-2-prop-2-enoxypropanamide?
N-tert-butyl-3-cyclobutyl-2-prop-2-enoxypropanamide;N-tert-butyl-3-cyclopropyl-2-prop-2-enoxypropanamide;N-tert-butyl-3-(2-methylcyclopropyl)-2-prop-2-enoxypropanamide has a molecular weight of 704.05 g/mol, XLogP of 7.45, 18 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-cyclobutyl-2-prop-2-enoxypropanamide;N-tert-butyl-3-cyclopropyl-2-prop-2-enoxypropanamide;N-tert-butyl-3-(2-methylcyclopropyl)-2-prop-2-enoxypropanamide is sourced from PubChem (CID 157461102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).