N-cyclopropyl-2-(4-ethyl-3-methyloxan-4-yl)-N-propylacetamide

C16H29NO2 — CID 70189282

IUPACN-cyclopropyl-2-(4-ethyl-3-methyloxan-4-yl)-N-propylacetamide
SMILESCCCN(C(=O)CC1(CC)CCOCC1C)C1CC1
InChIInChI=1S/C16H29NO2/c1-4-9-17(14-6-7-14)15(18)11-16(5-2)8-10-19-12-13(16)3/h13-14H,4-12H2,1-3H3
InChIKeySVZUEVDOAVFVBW-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.23
Rot. Bonds6

About N-cyclopropyl-2-(4-ethyl-3-methyloxan-4-yl)-N-propylacetamide

N-cyclopropyl-2-(4-ethyl-3-methyloxan-4-yl)-N-propylacetamide (PubChem CID 70189282) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is N-cyclopropyl-2-(4-ethyl-3-methyloxan-4-yl)-N-propylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(4-ethyl-3-methyloxan-4-yl)-N-propylacetamide
PubChem CID70189282
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC NameN-cyclopropyl-2-(4-ethyl-3-methyloxan-4-yl)-N-propylacetamide
SMILESCCCN(C(=O)CC1(CC)CCOCC1C)C1CC1
InChIInChI=1S/C16H29NO2/c1-4-9-17(14-6-7-14)15(18)11-16(5-2)8-10-19-12-13(16)3/h13-14H,4-12H2,1-3H3
InChIKeySVZUEVDOAVFVBW-UHFFFAOYSA-N
XLogP3.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.23
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-ethyl-3-methyloxan-4-yl)-N-propylacetamide?
The IUPAC name of N-cyclopropyl-2-(4-ethyl-3-methyloxan-4-yl)-N-propylacetamide (CID 70189282) is N-cyclopropyl-2-(4-ethyl-3-methyloxan-4-yl)-N-propylacetamide.
What is the SMILES notation for N-cyclopropyl-2-(4-ethyl-3-methyloxan-4-yl)-N-propylacetamide?
The canonical SMILES for N-cyclopropyl-2-(4-ethyl-3-methyloxan-4-yl)-N-propylacetamide is CCCN(C(=O)CC1(CC)CCOCC1C)C1CC1.
What is the InChIKey of N-cyclopropyl-2-(4-ethyl-3-methyloxan-4-yl)-N-propylacetamide?
The InChIKey is SVZUEVDOAVFVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-4-9-17(14-6-7-14)15(18)11-16(5-2)8-10-19-12-13(16)3/h13-14H,4-12H2,1-3H3.
What are the key properties of N-cyclopropyl-2-(4-ethyl-3-methyloxan-4-yl)-N-propylacetamide?
N-cyclopropyl-2-(4-ethyl-3-methyloxan-4-yl)-N-propylacetamide has a molecular weight of 267.41 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(4-ethyl-3-methyloxan-4-yl)-N-propylacetamide is sourced from PubChem (CID 70189282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).