2-amino-2-(oxan-4-yl)-N-(oxan-2-ylmethyl)-N-propylacetamide

C16H30N2O3 — CID 120792434

IUPAC2-amino-2-(oxan-4-yl)-N-(oxan-2-ylmethyl)-N-propylacetamide
SMILESCCCN(CC1CCCCO1)C(=O)C(N)C1CCOCC1
InChIInChI=1S/C16H30N2O3/c1-2-8-18(12-14-5-3-4-9-21-14)16(19)15(17)13-6-10-20-11-7-13/h13-15H,2-12,17H2,1H3
InChIKeySXZSCGBHNWFOCU-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.55
Rot. Bonds6

About 2-amino-2-(oxan-4-yl)-N-(oxan-2-ylmethyl)-N-propylacetamide

2-amino-2-(oxan-4-yl)-N-(oxan-2-ylmethyl)-N-propylacetamide (PubChem CID 120792434) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-amino-2-(oxan-4-yl)-N-(oxan-2-ylmethyl)-N-propylacetamide.

Molecular Properties

Compound Name2-amino-2-(oxan-4-yl)-N-(oxan-2-ylmethyl)-N-propylacetamide
PubChem CID120792434
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name2-amino-2-(oxan-4-yl)-N-(oxan-2-ylmethyl)-N-propylacetamide
SMILESCCCN(CC1CCCCO1)C(=O)C(N)C1CCOCC1
InChIInChI=1S/C16H30N2O3/c1-2-8-18(12-14-5-3-4-9-21-14)16(19)15(17)13-6-10-20-11-7-13/h13-15H,2-12,17H2,1H3
InChIKeySXZSCGBHNWFOCU-UHFFFAOYSA-N
XLogP1.55
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(oxan-4-yl)-N-(oxan-2-ylmethyl)-N-propylacetamide?
The IUPAC name of 2-amino-2-(oxan-4-yl)-N-(oxan-2-ylmethyl)-N-propylacetamide (CID 120792434) is 2-amino-2-(oxan-4-yl)-N-(oxan-2-ylmethyl)-N-propylacetamide.
What is the SMILES notation for 2-amino-2-(oxan-4-yl)-N-(oxan-2-ylmethyl)-N-propylacetamide?
The canonical SMILES for 2-amino-2-(oxan-4-yl)-N-(oxan-2-ylmethyl)-N-propylacetamide is CCCN(CC1CCCCO1)C(=O)C(N)C1CCOCC1.
What is the InChIKey of 2-amino-2-(oxan-4-yl)-N-(oxan-2-ylmethyl)-N-propylacetamide?
The InChIKey is SXZSCGBHNWFOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-2-8-18(12-14-5-3-4-9-21-14)16(19)15(17)13-6-10-20-11-7-13/h13-15H,2-12,17H2,1H3.
What are the key properties of 2-amino-2-(oxan-4-yl)-N-(oxan-2-ylmethyl)-N-propylacetamide?
2-amino-2-(oxan-4-yl)-N-(oxan-2-ylmethyl)-N-propylacetamide has a molecular weight of 298.43 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(oxan-4-yl)-N-(oxan-2-ylmethyl)-N-propylacetamide is sourced from PubChem (CID 120792434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).