N-[2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]ethyl]-2-methylpropanamide

C16H30N2O2 — CID 64862703

IUPACN-[2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]ethyl]-2-methylpropanamide
SMILESCCOC1CC(NCCNC(=O)C(C)C)C12CCCC2
InChIInChI=1S/C16H30N2O2/c1-4-20-14-11-13(16(14)7-5-6-8-16)17-9-10-18-15(19)12(2)3/h12-14,17H,4-11H2,1-3H3,(H,18,19)
InChIKeyKXPOHAYBYZVNAE-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.09
Rot. Bonds7

About N-[2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]ethyl]-2-methylpropanamide

N-[2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]ethyl]-2-methylpropanamide (PubChem CID 64862703) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-[2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]ethyl]-2-methylpropanamide
PubChem CID64862703
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC NameN-[2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]ethyl]-2-methylpropanamide
SMILESCCOC1CC(NCCNC(=O)C(C)C)C12CCCC2
InChIInChI=1S/C16H30N2O2/c1-4-20-14-11-13(16(14)7-5-6-8-16)17-9-10-18-15(19)12(2)3/h12-14,17H,4-11H2,1-3H3,(H,18,19)
InChIKeyKXPOHAYBYZVNAE-UHFFFAOYSA-N
XLogP2.09
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]ethyl]-2-methylpropanamide (CID 64862703) is N-[2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]ethyl]-2-methylpropanamide is CCOC1CC(NCCNC(=O)C(C)C)C12CCCC2.
What is the InChIKey of N-[2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]ethyl]-2-methylpropanamide?
The InChIKey is KXPOHAYBYZVNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-4-20-14-11-13(16(14)7-5-6-8-16)17-9-10-18-15(19)12(2)3/h12-14,17H,4-11H2,1-3H3,(H,18,19).
What are the key properties of N-[2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]ethyl]-2-methylpropanamide?
N-[2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]ethyl]-2-methylpropanamide has a molecular weight of 282.43 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]ethyl]-2-methylpropanamide is sourced from PubChem (CID 64862703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).