2-amino-5-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylbenzamide

C16H22N2O3 — CID 67253971

IUPAC2-amino-5-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylbenzamide
SMILESCNC(=O)c1cc(C2CCC3(CC2)OCCO3)ccc1N
InChIInChI=1S/C16H22N2O3/c1-18-15(19)13-10-12(2-3-14(13)17)11-4-6-16(7-5-11)20-8-9-21-16/h2-3,10-11H,4-9,17H2,1H3,(H,18,19)
InChIKeyXWBCUQHQWXSTMW-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.03
Rot. Bonds2

About 2-amino-5-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylbenzamide

2-amino-5-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylbenzamide (PubChem CID 67253971) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-amino-5-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylbenzamide.

Molecular Properties

Compound Name2-amino-5-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylbenzamide
PubChem CID67253971
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-amino-5-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylbenzamide
SMILESCNC(=O)c1cc(C2CCC3(CC2)OCCO3)ccc1N
InChIInChI=1S/C16H22N2O3/c1-18-15(19)13-10-12(2-3-14(13)17)11-4-6-16(7-5-11)20-8-9-21-16/h2-3,10-11H,4-9,17H2,1H3,(H,18,19)
InChIKeyXWBCUQHQWXSTMW-UHFFFAOYSA-N
XLogP2.03
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-5-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylbenzamide?
The IUPAC name of 2-amino-5-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylbenzamide (CID 67253971) is 2-amino-5-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylbenzamide.
What is the SMILES notation for 2-amino-5-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylbenzamide?
The canonical SMILES for 2-amino-5-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylbenzamide is CNC(=O)c1cc(C2CCC3(CC2)OCCO3)ccc1N.
What is the InChIKey of 2-amino-5-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylbenzamide?
The InChIKey is XWBCUQHQWXSTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-18-15(19)13-10-12(2-3-14(13)17)11-4-6-16(7-5-11)20-8-9-21-16/h2-3,10-11H,4-9,17H2,1H3,(H,18,19).
What are the key properties of 2-amino-5-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylbenzamide?
2-amino-5-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylbenzamide has a molecular weight of 290.36 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylbenzamide is sourced from PubChem (CID 67253971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).