2-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-3-methylbutanamide

C16H30N2O2 — CID 106344164

IUPAC2-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-3-methylbutanamide
SMILESCCOC1CC(NC(C(N)=O)C(C)C)C12CCCCC2
InChIInChI=1S/C16H30N2O2/c1-4-20-13-10-12(16(13)8-6-5-7-9-16)18-14(11(2)3)15(17)19/h11-14,18H,4-10H2,1-3H3,(H2,17,19)
InChIKeyBTPOSPQHZGAALC-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.21
Rot. Bonds6

About 2-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-3-methylbutanamide

2-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-3-methylbutanamide (PubChem CID 106344164) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-3-methylbutanamide.

Molecular Properties

Compound Name2-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-3-methylbutanamide
PubChem CID106344164
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name2-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-3-methylbutanamide
SMILESCCOC1CC(NC(C(N)=O)C(C)C)C12CCCCC2
InChIInChI=1S/C16H30N2O2/c1-4-20-13-10-12(16(13)8-6-5-7-9-16)18-14(11(2)3)15(17)19/h11-14,18H,4-10H2,1-3H3,(H2,17,19)
InChIKeyBTPOSPQHZGAALC-UHFFFAOYSA-N
XLogP2.21
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-4-methylpentanoate
CID 64864245
(2R)-2-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]propan-1-ol
CID 114987255
(2S)-2-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)propanamide
CID 119335880
3-ethoxy-N-(4-methylpentan-2-yl)spiro[3.5]nonan-1-amine
CID 65167855
3-ethoxy-N-(4-methylpentan-2-yl)spiro[3.4]octan-1-amine
CID 64863098
N-(3-ethoxyspiro[3.5]nonan-1-yl)acetamide
CID 86769478
3-ethoxy-N-(1-methoxypropan-2-yl)spiro[3.5]nonan-1-amine
CID 65170115
N-[(1R)-1-cyclopentylethyl]-3-ethoxyspiro[3.5]nonan-1-amine
CID 81395147
3-ethoxy-N-hexan-3-ylspiro[3.5]nonan-1-amine
CID 65169180
N-(1-cyclobutylethyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 115725116
3-ethoxy-N-(1-methoxy-3-methylbutan-2-yl)spiro[3.4]octan-1-amine
CID 65047702
1-(carbamoylamino)-N-[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]cyclopropane-1-carboxamide
CID 124590561

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-3-methylbutanamide?
The IUPAC name of 2-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-3-methylbutanamide (CID 106344164) is 2-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-3-methylbutanamide.
What is the SMILES notation for 2-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-3-methylbutanamide?
The canonical SMILES for 2-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-3-methylbutanamide is CCOC1CC(NC(C(N)=O)C(C)C)C12CCCCC2.
What is the InChIKey of 2-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-3-methylbutanamide?
The InChIKey is BTPOSPQHZGAALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-4-20-13-10-12(16(13)8-6-5-7-9-16)18-14(11(2)3)15(17)19/h11-14,18H,4-10H2,1-3H3,(H2,17,19).
What are the key properties of 2-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-3-methylbutanamide?
2-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-3-methylbutanamide has a molecular weight of 282.43 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-3-methylbutanamide is sourced from PubChem (CID 106344164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).