3-(2-methylcyclopropyl)-N-propan-2-yl-2-propoxypropanamide

C13H25NO2 — CID 21366389

IUPAC3-(2-methylcyclopropyl)-N-propan-2-yl-2-propoxypropanamide
SMILESCCCOC(CC1CC1C)C(=O)NC(C)C
InChIInChI=1S/C13H25NO2/c1-5-6-16-12(8-11-7-10(11)4)13(15)14-9(2)3/h9-12H,5-8H2,1-4H3,(H,14,15)
InChIKeyBTBLBBOIJDLKFW-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.35
Rot. Bonds7

About 3-(2-methylcyclopropyl)-N-propan-2-yl-2-propoxypropanamide

3-(2-methylcyclopropyl)-N-propan-2-yl-2-propoxypropanamide (PubChem CID 21366389) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-(2-methylcyclopropyl)-N-propan-2-yl-2-propoxypropanamide.

Molecular Properties

Compound Name3-(2-methylcyclopropyl)-N-propan-2-yl-2-propoxypropanamide
PubChem CID21366389
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name3-(2-methylcyclopropyl)-N-propan-2-yl-2-propoxypropanamide
SMILESCCCOC(CC1CC1C)C(=O)NC(C)C
InChIInChI=1S/C13H25NO2/c1-5-6-16-12(8-11-7-10(11)4)13(15)14-9(2)3/h9-12H,5-8H2,1-4H3,(H,14,15)
InChIKeyBTBLBBOIJDLKFW-UHFFFAOYSA-N
XLogP2.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylcyclopropyl)-N-propan-2-yl-2-propoxypropanamide?
The IUPAC name of 3-(2-methylcyclopropyl)-N-propan-2-yl-2-propoxypropanamide (CID 21366389) is 3-(2-methylcyclopropyl)-N-propan-2-yl-2-propoxypropanamide.
What is the SMILES notation for 3-(2-methylcyclopropyl)-N-propan-2-yl-2-propoxypropanamide?
The canonical SMILES for 3-(2-methylcyclopropyl)-N-propan-2-yl-2-propoxypropanamide is CCCOC(CC1CC1C)C(=O)NC(C)C.
What is the InChIKey of 3-(2-methylcyclopropyl)-N-propan-2-yl-2-propoxypropanamide?
The InChIKey is BTBLBBOIJDLKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-5-6-16-12(8-11-7-10(11)4)13(15)14-9(2)3/h9-12H,5-8H2,1-4H3,(H,14,15).
What are the key properties of 3-(2-methylcyclopropyl)-N-propan-2-yl-2-propoxypropanamide?
3-(2-methylcyclopropyl)-N-propan-2-yl-2-propoxypropanamide has a molecular weight of 227.35 g/mol, XLogP of 2.35, 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-propoxypropanamide is sourced from PubChem (CID 21366389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).