3-(2-aminophenyl)-N-(3-ethoxyspiro[3.5]nonan-1-yl)propanamide

C20H30N2O2 — CID 120611376

IUPAC3-(2-aminophenyl)-N-(3-ethoxyspiro[3.5]nonan-1-yl)propanamide
SMILESCCOC1CC(NC(=O)CCc2ccccc2N)C12CCCCC2
InChIInChI=1S/C20H30N2O2/c1-2-24-18-14-17(20(18)12-6-3-7-13-20)22-19(23)11-10-15-8-4-5-9-16(15)21/h4-5,8-9,17-18H,2-3,6-7,10-14,21H2,1H3,(H,22,23)
InChIKeyJJDKNPNKKOYTGW-UHFFFAOYSA-N
MW330.47 g/mol
LogP3.45
Rot. Bonds6

About 3-(2-aminophenyl)-N-(3-ethoxyspiro[3.5]nonan-1-yl)propanamide

3-(2-aminophenyl)-N-(3-ethoxyspiro[3.5]nonan-1-yl)propanamide (PubChem CID 120611376) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-(3-ethoxyspiro[3.5]nonan-1-yl)propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-(3-ethoxyspiro[3.5]nonan-1-yl)propanamide
PubChem CID120611376
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name3-(2-aminophenyl)-N-(3-ethoxyspiro[3.5]nonan-1-yl)propanamide
SMILESCCOC1CC(NC(=O)CCc2ccccc2N)C12CCCCC2
InChIInChI=1S/C20H30N2O2/c1-2-24-18-14-17(20(18)12-6-3-7-13-20)22-19(23)11-10-15-8-4-5-9-16(15)21/h4-5,8-9,17-18H,2-3,6-7,10-14,21H2,1H3,(H,22,23)
InChIKeyJJDKNPNKKOYTGW-UHFFFAOYSA-N
XLogP3.45
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(3-ethoxyspiro[3.4]octan-1-yl)propanamide;hydrochloride
CID 119329855
3-amino-N-(3-ethoxyspiro[3.3]heptan-1-yl)propanamide
CID 119334931
7-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)heptanamide
CID 119805159
3-(2-aminophenyl)-N-(2,2-dimethylcyclohexyl)propanamide
CID 79872318
4-[3-[[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]amino]-3-oxopropoxy]benzamide
CID 99813900
N-(3-ethoxyspiro[3.5]nonan-1-yl)acetamide
CID 86769478
(2S)-2-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)propanamide
CID 119335880
3-amino-N-(3-ethoxyspiro[3.4]octan-1-yl)benzamide
CID 119794751
N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-(1-methylpyrazol-4-yl)acetamide
CID 71980181
N-(3-ethoxyspiro[3.4]octan-1-yl)-2-(methylamino)acetamide
CID 119794737
N-(3-ethoxyspiro[3.3]heptan-1-yl)-2-(1-hydroxycyclopentyl)acetamide
CID 111540303
1-[(1S,3S)-3-ethoxyspiro[3.5]nonan-1-yl]-3-[2-(4-ethylpiperazin-1-yl)phenyl]urea
CID 96520588

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-(3-ethoxyspiro[3.5]nonan-1-yl)propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-(3-ethoxyspiro[3.5]nonan-1-yl)propanamide (CID 120611376) is 3-(2-aminophenyl)-N-(3-ethoxyspiro[3.5]nonan-1-yl)propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-(3-ethoxyspiro[3.5]nonan-1-yl)propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-(3-ethoxyspiro[3.5]nonan-1-yl)propanamide is CCOC1CC(NC(=O)CCc2ccccc2N)C12CCCCC2.
What is the InChIKey of 3-(2-aminophenyl)-N-(3-ethoxyspiro[3.5]nonan-1-yl)propanamide?
The InChIKey is JJDKNPNKKOYTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-2-24-18-14-17(20(18)12-6-3-7-13-20)22-19(23)11-10-15-8-4-5-9-16(15)21/h4-5,8-9,17-18H,2-3,6-7,10-14,21H2,1H3,(H,22,23).
What are the key properties of 3-(2-aminophenyl)-N-(3-ethoxyspiro[3.5]nonan-1-yl)propanamide?
3-(2-aminophenyl)-N-(3-ethoxyspiro[3.5]nonan-1-yl)propanamide has a molecular weight of 330.47 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-(3-ethoxyspiro[3.5]nonan-1-yl)propanamide is sourced from PubChem (CID 120611376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).