N-cyclopropyl-2-(4-propan-2-yloxan-4-yl)-N-propylacetamide

C16H29NO2 — CID 58376446

IUPACN-cyclopropyl-2-(4-propan-2-yloxan-4-yl)-N-propylacetamide
SMILESCCCN(C(=O)CC1(C(C)C)CCOCC1)C1CC1
InChIInChI=1S/C16H29NO2/c1-4-9-17(14-5-6-14)15(18)12-16(13(2)3)7-10-19-11-8-16/h13-14H,4-12H2,1-3H3
InChIKeyROUZSLNLGLHXDF-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.23
Rot. Bonds6

About N-cyclopropyl-2-(4-propan-2-yloxan-4-yl)-N-propylacetamide

N-cyclopropyl-2-(4-propan-2-yloxan-4-yl)-N-propylacetamide (PubChem CID 58376446) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is N-cyclopropyl-2-(4-propan-2-yloxan-4-yl)-N-propylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(4-propan-2-yloxan-4-yl)-N-propylacetamide
PubChem CID58376446
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC NameN-cyclopropyl-2-(4-propan-2-yloxan-4-yl)-N-propylacetamide
SMILESCCCN(C(=O)CC1(C(C)C)CCOCC1)C1CC1
InChIInChI=1S/C16H29NO2/c1-4-9-17(14-5-6-14)15(18)12-16(13(2)3)7-10-19-11-8-16/h13-14H,4-12H2,1-3H3
InChIKeyROUZSLNLGLHXDF-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-propan-2-yloxan-4-yl)-N-propylacetamide?
The IUPAC name of N-cyclopropyl-2-(4-propan-2-yloxan-4-yl)-N-propylacetamide (CID 58376446) is N-cyclopropyl-2-(4-propan-2-yloxan-4-yl)-N-propylacetamide.
What is the SMILES notation for N-cyclopropyl-2-(4-propan-2-yloxan-4-yl)-N-propylacetamide?
The canonical SMILES for N-cyclopropyl-2-(4-propan-2-yloxan-4-yl)-N-propylacetamide is CCCN(C(=O)CC1(C(C)C)CCOCC1)C1CC1.
What is the InChIKey of N-cyclopropyl-2-(4-propan-2-yloxan-4-yl)-N-propylacetamide?
The InChIKey is ROUZSLNLGLHXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-4-9-17(14-5-6-14)15(18)12-16(13(2)3)7-10-19-11-8-16/h13-14H,4-12H2,1-3H3.
What are the key properties of N-cyclopropyl-2-(4-propan-2-yloxan-4-yl)-N-propylacetamide?
N-cyclopropyl-2-(4-propan-2-yloxan-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-propan-2-yloxan-4-yl)-N-propylacetamide is sourced from PubChem (CID 58376446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).