N-cyclopropyl-2-(4-methyloxan-4-yl)-N-propylacetamide

C14H25NO2 — CID 58376040

IUPACN-cyclopropyl-2-(4-methyloxan-4-yl)-N-propylacetamide
SMILESCCCN(C(=O)CC1(C)CCOCC1)C1CC1
InChIInChI=1S/C14H25NO2/c1-3-8-15(12-4-5-12)13(16)11-14(2)6-9-17-10-7-14/h12H,3-11H2,1-2H3
InChIKeyYJMDTZIDPUIPTC-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.59
Rot. Bonds5

About N-cyclopropyl-2-(4-methyloxan-4-yl)-N-propylacetamide

N-cyclopropyl-2-(4-methyloxan-4-yl)-N-propylacetamide (PubChem CID 58376040) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is N-cyclopropyl-2-(4-methyloxan-4-yl)-N-propylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(4-methyloxan-4-yl)-N-propylacetamide
PubChem CID58376040
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC NameN-cyclopropyl-2-(4-methyloxan-4-yl)-N-propylacetamide
SMILESCCCN(C(=O)CC1(C)CCOCC1)C1CC1
InChIInChI=1S/C14H25NO2/c1-3-8-15(12-4-5-12)13(16)11-14(2)6-9-17-10-7-14/h12H,3-11H2,1-2H3
InChIKeyYJMDTZIDPUIPTC-UHFFFAOYSA-N
XLogP2.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(4-methyloxan-4-yl)-N-propylacetamide?
The IUPAC name of N-cyclopropyl-2-(4-methyloxan-4-yl)-N-propylacetamide (CID 58376040) is N-cyclopropyl-2-(4-methyloxan-4-yl)-N-propylacetamide.
What is the SMILES notation for N-cyclopropyl-2-(4-methyloxan-4-yl)-N-propylacetamide?
The canonical SMILES for N-cyclopropyl-2-(4-methyloxan-4-yl)-N-propylacetamide is CCCN(C(=O)CC1(C)CCOCC1)C1CC1.
What is the InChIKey of N-cyclopropyl-2-(4-methyloxan-4-yl)-N-propylacetamide?
The InChIKey is YJMDTZIDPUIPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-3-8-15(12-4-5-12)13(16)11-14(2)6-9-17-10-7-14/h12H,3-11H2,1-2H3.
What are the key properties of N-cyclopropyl-2-(4-methyloxan-4-yl)-N-propylacetamide?
N-cyclopropyl-2-(4-methyloxan-4-yl)-N-propylacetamide has a molecular weight of 239.36 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(4-methyloxan-4-yl)-N-propylacetamide is sourced from PubChem (CID 58376040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).