2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N-propan-2-ylacetamide

C15H28N2O2 — CID 64864613

IUPAC2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N-propan-2-ylacetamide
SMILESCCOC1CC(NCC(=O)NC(C)C)C12CCCC2
InChIInChI=1S/C15H28N2O2/c1-4-19-13-9-12(15(13)7-5-6-8-15)16-10-14(18)17-11(2)3/h11-13,16H,4-10H2,1-3H3,(H,17,18)
InChIKeyRNBPCYCOHKFFAN-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.84
Rot. Bonds6

About 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N-propan-2-ylacetamide

2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N-propan-2-ylacetamide (PubChem CID 64864613) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N-propan-2-ylacetamide
PubChem CID64864613
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N-propan-2-ylacetamide
SMILESCCOC1CC(NCC(=O)NC(C)C)C12CCCC2
InChIInChI=1S/C15H28N2O2/c1-4-19-13-9-12(15(13)7-5-6-8-15)16-10-14(18)17-11(2)3/h11-13,16H,4-10H2,1-3H3,(H,17,18)
InChIKeyRNBPCYCOHKFFAN-UHFFFAOYSA-N
XLogP1.84
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N-propan-2-ylacetamide (CID 64864613) is 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N-propan-2-ylacetamide is CCOC1CC(NCC(=O)NC(C)C)C12CCCC2.
What is the InChIKey of 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N-propan-2-ylacetamide?
The InChIKey is RNBPCYCOHKFFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-4-19-13-9-12(15(13)7-5-6-8-15)16-10-14(18)17-11(2)3/h11-13,16H,4-10H2,1-3H3,(H,17,18).
What are the key properties of 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N-propan-2-ylacetamide?
2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N-propan-2-ylacetamide has a molecular weight of 268.40 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 64864613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).