2-amino-N-(3-ethoxyspiro[3.3]heptan-1-yl)-3-methylpentanamide

C15H28N2O2 — CID 119803509

IUPAC2-amino-N-(3-ethoxyspiro[3.3]heptan-1-yl)-3-methylpentanamide
SMILESCCOC1CC(NC(=O)C(N)C(C)CC)C12CCC2
InChIInChI=1S/C15H28N2O2/c1-4-10(3)13(16)14(18)17-11-9-12(19-5-2)15(11)7-6-8-15/h10-13H,4-9,16H2,1-3H3,(H,17,18)
InChIKeyHOWWHGMBUUCDMN-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.82
Rot. Bonds6

About 2-amino-N-(3-ethoxyspiro[3.3]heptan-1-yl)-3-methylpentanamide

2-amino-N-(3-ethoxyspiro[3.3]heptan-1-yl)-3-methylpentanamide (PubChem CID 119803509) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-amino-N-(3-ethoxyspiro[3.3]heptan-1-yl)-3-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-(3-ethoxyspiro[3.3]heptan-1-yl)-3-methylpentanamide
PubChem CID119803509
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name2-amino-N-(3-ethoxyspiro[3.3]heptan-1-yl)-3-methylpentanamide
SMILESCCOC1CC(NC(=O)C(N)C(C)CC)C12CCC2
InChIInChI=1S/C15H28N2O2/c1-4-10(3)13(16)14(18)17-11-9-12(19-5-2)15(11)7-6-8-15/h10-13H,4-9,16H2,1-3H3,(H,17,18)
InChIKeyHOWWHGMBUUCDMN-UHFFFAOYSA-N
XLogP1.82
TPSA64.35 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 ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)propanamide
CID 119335880
2-amino-N-(3-ethoxyspiro[3.3]heptan-1-yl)pentanamide;hydrochloride
CID 119334950
N-(3-ethoxyspiro[3.4]octan-1-yl)-2-methyl-3-(methylamino)propanamide
CID 119794749
(2S)-N-[(1S,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-2-propan-2-ylsulfonylpropanamide
CID 100577324
3-amino-N-(3-ethoxyspiro[3.3]heptan-1-yl)propanamide
CID 119334931
N-(3-ethoxyspiro[3.3]heptan-1-yl)-2-(1-hydroxycyclopentyl)acetamide
CID 111540303
N-(3-ethoxyspiro[3.5]nonan-1-yl)acetamide
CID 86769478
2-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-3-methylbutanamide
CID 106344164
methyl 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-4-methylpentanoate
CID 64864245
3-amino-N-(3-ethoxyspiro[3.4]octan-1-yl)propanamide;hydrochloride
CID 119329855
2-[(3-ethoxyspiro[3.3]heptan-1-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120976421
1-(3-ethoxyspiro[3.3]heptan-1-yl)-2-methylguanidine;hydroiodide
CID 111757533

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-ethoxyspiro[3.3]heptan-1-yl)-3-methylpentanamide?
The IUPAC name of 2-amino-N-(3-ethoxyspiro[3.3]heptan-1-yl)-3-methylpentanamide (CID 119803509) is 2-amino-N-(3-ethoxyspiro[3.3]heptan-1-yl)-3-methylpentanamide.
What is the SMILES notation for 2-amino-N-(3-ethoxyspiro[3.3]heptan-1-yl)-3-methylpentanamide?
The canonical SMILES for 2-amino-N-(3-ethoxyspiro[3.3]heptan-1-yl)-3-methylpentanamide is CCOC1CC(NC(=O)C(N)C(C)CC)C12CCC2.
What is the InChIKey of 2-amino-N-(3-ethoxyspiro[3.3]heptan-1-yl)-3-methylpentanamide?
The InChIKey is HOWWHGMBUUCDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-4-10(3)13(16)14(18)17-11-9-12(19-5-2)15(11)7-6-8-15/h10-13H,4-9,16H2,1-3H3,(H,17,18).
What are the key properties of 2-amino-N-(3-ethoxyspiro[3.3]heptan-1-yl)-3-methylpentanamide?
2-amino-N-(3-ethoxyspiro[3.3]heptan-1-yl)-3-methylpentanamide has a molecular weight of 268.40 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-ethoxyspiro[3.3]heptan-1-yl)-3-methylpentanamide is sourced from PubChem (CID 119803509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).