4-amino-3-(cycloheptylmethoxy)benzamide

C15H22N2O2 — CID 114247963

IUPAC4-amino-3-(cycloheptylmethoxy)benzamide
SMILESNC(=O)c1ccc(N)c(OCC2CCCCCC2)c1
InChIInChI=1S/C15H22N2O2/c16-13-8-7-12(15(17)18)9-14(13)19-10-11-5-3-1-2-4-6-11/h7-9,11H,1-6,10,16H2,(H2,17,18)
InChIKeyYLTBHYSJWXYICY-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.72
Rot. Bonds4

About 4-amino-3-(cycloheptylmethoxy)benzamide

4-amino-3-(cycloheptylmethoxy)benzamide (PubChem CID 114247963) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-amino-3-(cycloheptylmethoxy)benzamide.

Molecular Properties

Compound Name4-amino-3-(cycloheptylmethoxy)benzamide
PubChem CID114247963
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name4-amino-3-(cycloheptylmethoxy)benzamide
SMILESNC(=O)c1ccc(N)c(OCC2CCCCCC2)c1
InChIInChI=1S/C15H22N2O2/c16-13-8-7-12(15(17)18)9-14(13)19-10-11-5-3-1-2-4-6-11/h7-9,11H,1-6,10,16H2,(H2,17,18)
InChIKeyYLTBHYSJWXYICY-UHFFFAOYSA-N
XLogP2.72
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(cycloheptylmethoxy)benzamide?
The IUPAC name of 4-amino-3-(cycloheptylmethoxy)benzamide (CID 114247963) is 4-amino-3-(cycloheptylmethoxy)benzamide.
What is the SMILES notation for 4-amino-3-(cycloheptylmethoxy)benzamide?
The canonical SMILES for 4-amino-3-(cycloheptylmethoxy)benzamide is NC(=O)c1ccc(N)c(OCC2CCCCCC2)c1.
What is the InChIKey of 4-amino-3-(cycloheptylmethoxy)benzamide?
The InChIKey is YLTBHYSJWXYICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c16-13-8-7-12(15(17)18)9-14(13)19-10-11-5-3-1-2-4-6-11/h7-9,11H,1-6,10,16H2,(H2,17,18).
What are the key properties of 4-amino-3-(cycloheptylmethoxy)benzamide?
4-amino-3-(cycloheptylmethoxy)benzamide has a molecular weight of 262.35 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(cycloheptylmethoxy)benzamide is sourced from PubChem (CID 114247963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).