3-(2-methylcyclopropyl)-N-propan-2-yl-2-prop-2-enoxypropanamide

C13H23NO2 — CID 21366279

IUPAC3-(2-methylcyclopropyl)-N-propan-2-yl-2-prop-2-enoxypropanamide
SMILESC=CCOC(CC1CC1C)C(=O)NC(C)C
InChIInChI=1S/C13H23NO2/c1-5-6-16-12(8-11-7-10(11)4)13(15)14-9(2)3/h5,9-12H,1,6-8H2,2-4H3,(H,14,15)
InChIKeyDKMXLGFOANQCAJ-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.13
Rot. Bonds7

About 3-(2-methylcyclopropyl)-N-propan-2-yl-2-prop-2-enoxypropanamide

3-(2-methylcyclopropyl)-N-propan-2-yl-2-prop-2-enoxypropanamide (PubChem CID 21366279) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 3-(2-methylcyclopropyl)-N-propan-2-yl-2-prop-2-enoxypropanamide.

Molecular Properties

Compound Name3-(2-methylcyclopropyl)-N-propan-2-yl-2-prop-2-enoxypropanamide
PubChem CID21366279
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name3-(2-methylcyclopropyl)-N-propan-2-yl-2-prop-2-enoxypropanamide
SMILESC=CCOC(CC1CC1C)C(=O)NC(C)C
InChIInChI=1S/C13H23NO2/c1-5-6-16-12(8-11-7-10(11)4)13(15)14-9(2)3/h5,9-12H,1,6-8H2,2-4H3,(H,14,15)
InChIKeyDKMXLGFOANQCAJ-UHFFFAOYSA-N
XLogP2.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.13
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-cyclopropyl-2-prop-2-enoxypropanamide
CID 20790199
3-cyclobutyl-N-propan-2-yl-2-prop-2-enoxypropanamide
CID 21366276
3-cyclopentyl-N-propan-2-yl-2-prop-2-enoxypropanamide
CID 21366277
3-cyclopropyl-N-propan-2-yl-2-prop-2-enoxypropanamide
CID 21366278
4,4-dimethyl-N-propan-2-yl-2-prop-2-enoxypentanamide
CID 21366282
2-(cyclopentylmethoxy)-3-(2-methylcyclopropyl)-N-propan-2-ylpropanamide
CID 21366295
2-(cyclopropylmethoxy)-3-(2-methylcyclopropyl)-N-propan-2-ylpropanamide
CID 21366307
2-ethoxy-3-(2-methylcyclopropyl)-N-propan-2-ylpropanamide
CID 21366322
3-cyclobutyl-2-(cyclopropylmethoxy)-N-propan-2-ylpropanamide
CID 21366337
3-(2-methylcyclopropyl)-N-propan-2-yl-2-propoxypropanamide
CID 21366389

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylcyclopropyl)-N-propan-2-yl-2-prop-2-enoxypropanamide?
The IUPAC name of 3-(2-methylcyclopropyl)-N-propan-2-yl-2-prop-2-enoxypropanamide (CID 21366279) is 3-(2-methylcyclopropyl)-N-propan-2-yl-2-prop-2-enoxypropanamide.
What is the SMILES notation for 3-(2-methylcyclopropyl)-N-propan-2-yl-2-prop-2-enoxypropanamide?
The canonical SMILES for 3-(2-methylcyclopropyl)-N-propan-2-yl-2-prop-2-enoxypropanamide is C=CCOC(CC1CC1C)C(=O)NC(C)C.
What is the InChIKey of 3-(2-methylcyclopropyl)-N-propan-2-yl-2-prop-2-enoxypropanamide?
The InChIKey is DKMXLGFOANQCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-5-6-16-12(8-11-7-10(11)4)13(15)14-9(2)3/h5,9-12H,1,6-8H2,2-4H3,(H,14,15).
What are the key properties of 3-(2-methylcyclopropyl)-N-propan-2-yl-2-prop-2-enoxypropanamide?
3-(2-methylcyclopropyl)-N-propan-2-yl-2-prop-2-enoxypropanamide has a molecular weight of 225.33 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylcyclopropyl)-N-propan-2-yl-2-prop-2-enoxypropanamide is sourced from PubChem (CID 21366279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).