2-[(3-ethoxyspiro[3.4]octan-1-yl)-methylamino]-N-prop-2-ynylacetamide

C16H26N2O2 — CID 56794986

IUPAC2-[(3-ethoxyspiro[3.4]octan-1-yl)-methylamino]-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)CN(C)C1CC(OCC)C12CCCC2
InChIInChI=1S/C16H26N2O2/c1-4-10-17-15(19)12-18(3)13-11-14(20-5-2)16(13)8-6-7-9-16/h1,13-14H,5-12H2,2-3H3,(H,17,19)
InChIKeyFHBNCDBIVQBHMJ-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.41
Rot. Bonds6

About 2-[(3-ethoxyspiro[3.4]octan-1-yl)-methylamino]-N-prop-2-ynylacetamide

2-[(3-ethoxyspiro[3.4]octan-1-yl)-methylamino]-N-prop-2-ynylacetamide (PubChem CID 56794986) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[(3-ethoxyspiro[3.4]octan-1-yl)-methylamino]-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2-[(3-ethoxyspiro[3.4]octan-1-yl)-methylamino]-N-prop-2-ynylacetamide
PubChem CID56794986
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-[(3-ethoxyspiro[3.4]octan-1-yl)-methylamino]-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)CN(C)C1CC(OCC)C12CCCC2
InChIInChI=1S/C16H26N2O2/c1-4-10-17-15(19)12-18(3)13-11-14(20-5-2)16(13)8-6-7-9-16/h1,13-14H,5-12H2,2-3H3,(H,17,19)
InChIKeyFHBNCDBIVQBHMJ-UHFFFAOYSA-N
XLogP1.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]ethyl]-2-methylpropanamide
CID 64862703
2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N-methylacetamide
CID 64862902
2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N,N-dimethylacetamide
CID 64862903
2-[(3-Ethoxyspiro[3.4]octan-1-yl)amino]acetamide
CID 64863266
2-[(3-Ethoxyspiro[3.4]octan-1-yl)amino]propanamide
CID 64864040
2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N-propylpropanamide
CID 64864242
3-[(3-Ethoxyspiro[3.4]octan-1-yl)amino]azepan-2-one
CID 64864244
N-[2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]ethyl]acetamide
CID 64864417
2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N-ethylacetamide
CID 64864422
2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N-propylacetamide
CID 64864423
2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N,4-dimethylpentanamide
CID 64864449
2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N-propan-2-ylacetamide
CID 64864613

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethoxyspiro[3.4]octan-1-yl)-methylamino]-N-prop-2-ynylacetamide?
The IUPAC name of 2-[(3-ethoxyspiro[3.4]octan-1-yl)-methylamino]-N-prop-2-ynylacetamide (CID 56794986) is 2-[(3-ethoxyspiro[3.4]octan-1-yl)-methylamino]-N-prop-2-ynylacetamide.
What is the SMILES notation for 2-[(3-ethoxyspiro[3.4]octan-1-yl)-methylamino]-N-prop-2-ynylacetamide?
The canonical SMILES for 2-[(3-ethoxyspiro[3.4]octan-1-yl)-methylamino]-N-prop-2-ynylacetamide is C#CCNC(=O)CN(C)C1CC(OCC)C12CCCC2.
What is the InChIKey of 2-[(3-ethoxyspiro[3.4]octan-1-yl)-methylamino]-N-prop-2-ynylacetamide?
The InChIKey is FHBNCDBIVQBHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-10-17-15(19)12-18(3)13-11-14(20-5-2)16(13)8-6-7-9-16/h1,13-14H,5-12H2,2-3H3,(H,17,19).
What are the key properties of 2-[(3-ethoxyspiro[3.4]octan-1-yl)-methylamino]-N-prop-2-ynylacetamide?
2-[(3-ethoxyspiro[3.4]octan-1-yl)-methylamino]-N-prop-2-ynylacetamide has a molecular weight of 278.40 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 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)-methylamino]-N-prop-2-ynylacetamide is sourced from PubChem (CID 56794986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).