4-amino-3-(cyanomethoxy)-N-cycloheptylbenzamide

C16H21N3O2 — CID 82069915

IUPAC4-amino-3-(cyanomethoxy)-N-cycloheptylbenzamide
SMILESN#CCOc1cc(C(=O)NC2CCCCCC2)ccc1N
InChIInChI=1S/C16H21N3O2/c17-9-10-21-15-11-12(7-8-14(15)18)16(20)19-13-5-3-1-2-4-6-13/h7-8,11,13H,1-6,10,18H2,(H,19,20)
InChIKeyJFGDXFNYFZNPJB-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.62
Rot. Bonds4

About 4-amino-3-(cyanomethoxy)-N-cycloheptylbenzamide

4-amino-3-(cyanomethoxy)-N-cycloheptylbenzamide (PubChem CID 82069915) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-amino-3-(cyanomethoxy)-N-cycloheptylbenzamide.

Molecular Properties

Compound Name4-amino-3-(cyanomethoxy)-N-cycloheptylbenzamide
PubChem CID82069915
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name4-amino-3-(cyanomethoxy)-N-cycloheptylbenzamide
SMILESN#CCOc1cc(C(=O)NC2CCCCCC2)ccc1N
InChIInChI=1S/C16H21N3O2/c17-9-10-21-15-11-12(7-8-14(15)18)16(20)19-13-5-3-1-2-4-6-13/h7-8,11,13H,1-6,10,18H2,(H,19,20)
InChIKeyJFGDXFNYFZNPJB-UHFFFAOYSA-N
XLogP2.62
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-cyclopentyl-3-[3-(dimethylamino)propoxy]benzamide
CID 82070130
4-amino-N-cyclohexyl-3-methylbenzamide
CID 16773559
3-amino-N-cyclohexyl-4-ethoxybenzamide
CID 28689929
4-amino-N-cyclooctyl-3-fluorobenzamide
CID 62679448
4-amino-N-cyclopropyl-3-(2-oxo-2-pyrrolidin-1-ylethoxy)benzamide
CID 82069705
4-amino-3-(cyanomethoxy)-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 82069934
4-amino-3-(cyanomethoxy)-N-[3-(diethylamino)propyl]benzamide
CID 82069925
N-cyclohexyl-3,4-diethoxybenzamide
CID 917356
4-amino-N-(4-hydroxycyclohexyl)-3-methoxybenzamide
CID 89028279
N-cyclopentyl-3-fluoro-4-prop-2-ynoxybenzamide
CID 57445692
3-amino-N-cyclopentyl-4-(2,2,2-trifluoroethoxy)benzamide
CID 171933201
3-amino-N-cyclohexyl-4-[2-(dimethylamino)ethoxy]benzamide
CID 82070507

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(cyanomethoxy)-N-cycloheptylbenzamide?
The IUPAC name of 4-amino-3-(cyanomethoxy)-N-cycloheptylbenzamide (CID 82069915) is 4-amino-3-(cyanomethoxy)-N-cycloheptylbenzamide.
What is the SMILES notation for 4-amino-3-(cyanomethoxy)-N-cycloheptylbenzamide?
The canonical SMILES for 4-amino-3-(cyanomethoxy)-N-cycloheptylbenzamide is N#CCOc1cc(C(=O)NC2CCCCCC2)ccc1N.
What is the InChIKey of 4-amino-3-(cyanomethoxy)-N-cycloheptylbenzamide?
The InChIKey is JFGDXFNYFZNPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c17-9-10-21-15-11-12(7-8-14(15)18)16(20)19-13-5-3-1-2-4-6-13/h7-8,11,13H,1-6,10,18H2,(H,19,20).
What are the key properties of 4-amino-3-(cyanomethoxy)-N-cycloheptylbenzamide?
4-amino-3-(cyanomethoxy)-N-cycloheptylbenzamide has a molecular weight of 287.36 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(cyanomethoxy)-N-cycloheptylbenzamide is sourced from PubChem (CID 82069915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).