3-cyclopropyl-N-propan-2-yl-2-prop-2-enoxypropanamide

C12H21NO2 — CID 21366278

IUPAC3-cyclopropyl-N-propan-2-yl-2-prop-2-enoxypropanamide
SMILESC=CCOC(CC1CC1)C(=O)NC(C)C
InChIInChI=1S/C12H21NO2/c1-4-7-15-11(8-10-5-6-10)12(14)13-9(2)3/h4,9-11H,1,5-8H2,2-3H3,(H,13,14)
InChIKeySIYJNIALMFKSIJ-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.88
Rot. Bonds7

About 3-cyclopropyl-N-propan-2-yl-2-prop-2-enoxypropanamide

3-cyclopropyl-N-propan-2-yl-2-prop-2-enoxypropanamide (PubChem CID 21366278) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 3-cyclopropyl-N-propan-2-yl-2-prop-2-enoxypropanamide.

Molecular Properties

Compound Name3-cyclopropyl-N-propan-2-yl-2-prop-2-enoxypropanamide
PubChem CID21366278
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name3-cyclopropyl-N-propan-2-yl-2-prop-2-enoxypropanamide
SMILESC=CCOC(CC1CC1)C(=O)NC(C)C
InChIInChI=1S/C12H21NO2/c1-4-7-15-11(8-10-5-6-10)12(14)13-9(2)3/h4,9-11H,1,5-8H2,2-3H3,(H,13,14)
InChIKeySIYJNIALMFKSIJ-UHFFFAOYSA-N
XLogP1.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.88
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-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-(2-methylcyclopropyl)-N-propan-2-yl-2-prop-2-enoxypropanamide
CID 21366279
3-methyl-N-propan-2-yl-2-prop-2-enoxybutanamide
CID 21366281
4,4-dimethyl-N-propan-2-yl-2-prop-2-enoxypentanamide
CID 21366282
3-cyclopropyl-2-(cyclopropylmethoxy)-N-propan-2-ylpropanamide
CID 21366345
3-cyclopropyl-2-ethoxy-N-propan-2-ylpropanamide
CID 21366346
3-cyclopropyl-N-propan-2-yl-2-propoxypropanamide
CID 21366348
3-cyclopropyl-N-ethyl-2-propoxypropanamide
CID 89093015
N-ethyl-4,4-dimethyl-2-prop-2-enoxypentanamide
CID 89093016

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-propan-2-yl-2-prop-2-enoxypropanamide?
The IUPAC name of 3-cyclopropyl-N-propan-2-yl-2-prop-2-enoxypropanamide (CID 21366278) is 3-cyclopropyl-N-propan-2-yl-2-prop-2-enoxypropanamide.
What is the SMILES notation for 3-cyclopropyl-N-propan-2-yl-2-prop-2-enoxypropanamide?
The canonical SMILES for 3-cyclopropyl-N-propan-2-yl-2-prop-2-enoxypropanamide is C=CCOC(CC1CC1)C(=O)NC(C)C.
What is the InChIKey of 3-cyclopropyl-N-propan-2-yl-2-prop-2-enoxypropanamide?
The InChIKey is SIYJNIALMFKSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-4-7-15-11(8-10-5-6-10)12(14)13-9(2)3/h4,9-11H,1,5-8H2,2-3H3,(H,13,14).
What are the key properties of 3-cyclopropyl-N-propan-2-yl-2-prop-2-enoxypropanamide?
3-cyclopropyl-N-propan-2-yl-2-prop-2-enoxypropanamide has a molecular weight of 211.30 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-propan-2-yl-2-prop-2-enoxypropanamide is sourced from PubChem (CID 21366278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).