3-amino-N-(3-ethoxyspiro[3.4]octan-1-yl)benzamide

C17H24N2O2 — CID 119794751

IUPAC3-amino-N-(3-ethoxyspiro[3.4]octan-1-yl)benzamide
SMILESCCOC1CC(NC(=O)c2cccc(N)c2)C12CCCC2
InChIInChI=1S/C17H24N2O2/c1-2-21-15-11-14(17(15)8-3-4-9-17)19-16(20)12-6-5-7-13(18)10-12/h5-7,10,14-15H,2-4,8-9,11,18H2,1H3,(H,19,20)
InChIKeyJLEGOTGIYKWCGA-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.74
Rot. Bonds4

About 3-amino-N-(3-ethoxyspiro[3.4]octan-1-yl)benzamide

3-amino-N-(3-ethoxyspiro[3.4]octan-1-yl)benzamide (PubChem CID 119794751) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-amino-N-(3-ethoxyspiro[3.4]octan-1-yl)benzamide.

Molecular Properties

Compound Name3-amino-N-(3-ethoxyspiro[3.4]octan-1-yl)benzamide
PubChem CID119794751
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name3-amino-N-(3-ethoxyspiro[3.4]octan-1-yl)benzamide
SMILESCCOC1CC(NC(=O)c2cccc(N)c2)C12CCCC2
InChIInChI=1S/C17H24N2O2/c1-2-21-15-11-14(17(15)8-3-4-9-17)19-16(20)12-6-5-7-13(18)10-12/h5-7,10,14-15H,2-4,8-9,11,18H2,1H3,(H,19,20)
InChIKeyJLEGOTGIYKWCGA-UHFFFAOYSA-N
XLogP2.74
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.74
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

2-[3-[(3-ethoxyspiro[3.5]nonan-1-yl)carbamoyl]phenoxy]acetic acid
CID 119186774
3-amino-N-(2,2-diethyl-3-methoxycyclobutyl)benzamide;hydrochloride
CID 119821933
3-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]benzoic acid
CID 65295482
N-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 99817259
3-amino-N-(3-ethoxyspiro[3.4]octan-1-yl)propanamide;hydrochloride
CID 119329855
5-chloro-6-ethoxy-N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]pyridine-3-carboxamide
CID 95782529
5-[[(1R,3S)-3-ethoxyspiro[3.3]heptan-1-yl]carbamoyl]furan-2-carboxylic acid
CID 124683900
3-(2-aminophenyl)-N-(3-ethoxyspiro[3.5]nonan-1-yl)propanamide
CID 120611376
N-(3-ethoxyspiro[3.4]octan-1-yl)tetrazolo[1,5-a]pyridine-6-carboxamide
CID 75379390
N-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-2-sulfanylidene-3H-1,3-benzoxazole-6-carboxamide
CID 95933296
N-(3-ethoxyspiro[3.5]nonan-1-yl)acetamide
CID 86769478
N-(3-ethoxyspiro[3.4]octan-1-yl)-2-(methylamino)acetamide
CID 119794737

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-ethoxyspiro[3.4]octan-1-yl)benzamide?
The IUPAC name of 3-amino-N-(3-ethoxyspiro[3.4]octan-1-yl)benzamide (CID 119794751) is 3-amino-N-(3-ethoxyspiro[3.4]octan-1-yl)benzamide.
What is the SMILES notation for 3-amino-N-(3-ethoxyspiro[3.4]octan-1-yl)benzamide?
The canonical SMILES for 3-amino-N-(3-ethoxyspiro[3.4]octan-1-yl)benzamide is CCOC1CC(NC(=O)c2cccc(N)c2)C12CCCC2.
What is the InChIKey of 3-amino-N-(3-ethoxyspiro[3.4]octan-1-yl)benzamide?
The InChIKey is JLEGOTGIYKWCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-2-21-15-11-14(17(15)8-3-4-9-17)19-16(20)12-6-5-7-13(18)10-12/h5-7,10,14-15H,2-4,8-9,11,18H2,1H3,(H,19,20).
What are the key properties of 3-amino-N-(3-ethoxyspiro[3.4]octan-1-yl)benzamide?
3-amino-N-(3-ethoxyspiro[3.4]octan-1-yl)benzamide has a molecular weight of 288.39 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-ethoxyspiro[3.4]octan-1-yl)benzamide is sourced from PubChem (CID 119794751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).