4-(3-aminopropoxy)-3,5-dimethoxy-N-[(3R)-oxolan-3-yl]benzamide

C16H24N2O5 — CID 125164781

IUPAC4-(3-aminopropoxy)-3,5-dimethoxy-N-[(3R)-oxolan-3-yl]benzamide
SMILESCOc1cc(C(=O)N[C@@H]2CCOC2)cc(OC)c1OCCCN
InChIInChI=1S/C16H24N2O5/c1-20-13-8-11(16(19)18-12-4-7-22-10-12)9-14(21-2)15(13)23-6-3-5-17/h8-9,12H,3-7,10,17H2,1-2H3,(H,18,19)/t12-/m1/s1
InChIKeyGGEKLPXOQLRHTO-GFCCVEGCSA-N
MW324.38 g/mol
LogP0.95
Rot. Bonds8

About 4-(3-aminopropoxy)-3,5-dimethoxy-N-[(3R)-oxolan-3-yl]benzamide

4-(3-aminopropoxy)-3,5-dimethoxy-N-[(3R)-oxolan-3-yl]benzamide (PubChem CID 125164781) has the molecular formula C16H24N2O5 and a molecular weight of 324.38 g/mol. Its IUPAC name is 4-(3-aminopropoxy)-3,5-dimethoxy-N-[(3R)-oxolan-3-yl]benzamide.

Molecular Properties

Compound Name4-(3-aminopropoxy)-3,5-dimethoxy-N-[(3R)-oxolan-3-yl]benzamide
PubChem CID125164781
Molecular FormulaC16H24N2O5
Molecular Weight324.38 g/mol
Exact Mass324.17
IUPAC Name4-(3-aminopropoxy)-3,5-dimethoxy-N-[(3R)-oxolan-3-yl]benzamide
SMILESCOc1cc(C(=O)N[C@@H]2CCOC2)cc(OC)c1OCCCN
InChIInChI=1S/C16H24N2O5/c1-20-13-8-11(16(19)18-12-4-7-22-10-12)9-14(21-2)15(13)23-6-3-5-17/h8-9,12H,3-7,10,17H2,1-2H3,(H,18,19)/t12-/m1/s1
InChIKeyGGEKLPXOQLRHTO-GFCCVEGCSA-N
XLogP0.95
TPSA92.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropoxy)-3,5-dimethoxy-N-[(3R)-oxolan-3-yl]benzamide?
The IUPAC name of 4-(3-aminopropoxy)-3,5-dimethoxy-N-[(3R)-oxolan-3-yl]benzamide (CID 125164781) is 4-(3-aminopropoxy)-3,5-dimethoxy-N-[(3R)-oxolan-3-yl]benzamide.
What is the SMILES notation for 4-(3-aminopropoxy)-3,5-dimethoxy-N-[(3R)-oxolan-3-yl]benzamide?
The canonical SMILES for 4-(3-aminopropoxy)-3,5-dimethoxy-N-[(3R)-oxolan-3-yl]benzamide is COc1cc(C(=O)N[C@@H]2CCOC2)cc(OC)c1OCCCN.
What is the InChIKey of 4-(3-aminopropoxy)-3,5-dimethoxy-N-[(3R)-oxolan-3-yl]benzamide?
The InChIKey is GGEKLPXOQLRHTO-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H24N2O5/c1-20-13-8-11(16(19)18-12-4-7-22-10-12)9-14(21-2)15(13)23-6-3-5-17/h8-9,12H,3-7,10,17H2,1-2H3,(H,18,19)/t12-/m1/s1.
What are the key properties of 4-(3-aminopropoxy)-3,5-dimethoxy-N-[(3R)-oxolan-3-yl]benzamide?
4-(3-aminopropoxy)-3,5-dimethoxy-N-[(3R)-oxolan-3-yl]benzamide has a molecular weight of 324.38 g/mol, XLogP of 0.95, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropoxy)-3,5-dimethoxy-N-[(3R)-oxolan-3-yl]benzamide is sourced from PubChem (CID 125164781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).