N-tert-butyl-3-(2-methylcyclopropyl)-2-prop-2-enoxypropanamide

C14H25NO2 — CID 20790195

IUPACN-tert-butyl-3-(2-methylcyclopropyl)-2-prop-2-enoxypropanamide
SMILESC=CCOC(CC1CC1C)C(=O)NC(C)(C)C
InChIInChI=1S/C14H25NO2/c1-6-7-17-12(9-11-8-10(11)2)13(16)15-14(3,4)5/h6,10-12H,1,7-9H2,2-5H3,(H,15,16)
InChIKeyDUTCEMBHKOQVAB-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.52
Rot. Bonds6

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

N-tert-butyl-3-(2-methylcyclopropyl)-2-prop-2-enoxypropanamide (PubChem CID 20790195) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is N-tert-butyl-3-(2-methylcyclopropyl)-2-prop-2-enoxypropanamide.

Molecular Properties

Compound NameN-tert-butyl-3-(2-methylcyclopropyl)-2-prop-2-enoxypropanamide
PubChem CID20790195
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC NameN-tert-butyl-3-(2-methylcyclopropyl)-2-prop-2-enoxypropanamide
SMILESC=CCOC(CC1CC1C)C(=O)NC(C)(C)C
InChIInChI=1S/C14H25NO2/c1-6-7-17-12(9-11-8-10(11)2)13(16)15-14(3,4)5/h6,10-12H,1,7-9H2,2-5H3,(H,15,16)
InChIKeyDUTCEMBHKOQVAB-UHFFFAOYSA-N
XLogP2.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.52
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-cyclobutyl-2-prop-2-enoxypropanamide
CID 20790197
N-tert-butyl-3-cyclopentyl-2-prop-2-enoxypropanamide
CID 20790198
N-tert-butyl-3-cyclopropyl-2-prop-2-enoxypropanamide
CID 20790199
N-tert-butyl-2-(cyclopropylmethoxy)-3-(2-methylcyclopropyl)propanamide
CID 20790224
N-tert-butyl-2-ethoxy-3-(2-methylcyclopropyl)propanamide
CID 20790234
N-tert-butyl-3-(2-methylcyclopropyl)-2-propoxypropanamide
CID 20790249
N-tert-butyl-3-cyclobutyl-2-(cyclopropylmethoxy)propanamide
CID 20790254
3-cyclobutyl-N-propan-2-yl-2-prop-2-enoxypropanamide
CID 21366276
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
3-cyclobutyl-N-ethyl-2-prop-2-enoxypropanamide
CID 89093023

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(2-methylcyclopropyl)-2-prop-2-enoxypropanamide?
The IUPAC name of N-tert-butyl-3-(2-methylcyclopropyl)-2-prop-2-enoxypropanamide (CID 20790195) is N-tert-butyl-3-(2-methylcyclopropyl)-2-prop-2-enoxypropanamide.
What is the SMILES notation for N-tert-butyl-3-(2-methylcyclopropyl)-2-prop-2-enoxypropanamide?
The canonical SMILES for N-tert-butyl-3-(2-methylcyclopropyl)-2-prop-2-enoxypropanamide is C=CCOC(CC1CC1C)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-3-(2-methylcyclopropyl)-2-prop-2-enoxypropanamide?
The InChIKey is DUTCEMBHKOQVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-6-7-17-12(9-11-8-10(11)2)13(16)15-14(3,4)5/h6,10-12H,1,7-9H2,2-5H3,(H,15,16).
What are the key properties of N-tert-butyl-3-(2-methylcyclopropyl)-2-prop-2-enoxypropanamide?
N-tert-butyl-3-(2-methylcyclopropyl)-2-prop-2-enoxypropanamide has a molecular weight of 239.36 g/mol, XLogP of 2.52, 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-(2-methylcyclopropyl)-2-prop-2-enoxypropanamide is sourced from PubChem (CID 20790195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).