4-amino-N-cycloheptyl-N-methyloxane-4-carboxamide

C14H26N2O2 — CID 115293762

IUPAC4-amino-N-cycloheptyl-N-methyloxane-4-carboxamide
SMILESCN(C(=O)C1(N)CCOCC1)C1CCCCCC1
InChIInChI=1S/C14H26N2O2/c1-16(12-6-4-2-3-5-7-12)13(17)14(15)8-10-18-11-9-14/h12H,2-11,15H2,1H3
InChIKeyVRHBZXXZSLOFMJ-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.68
Rot. Bonds2

About 4-amino-N-cycloheptyl-N-methyloxane-4-carboxamide

4-amino-N-cycloheptyl-N-methyloxane-4-carboxamide (PubChem CID 115293762) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 4-amino-N-cycloheptyl-N-methyloxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-cycloheptyl-N-methyloxane-4-carboxamide
PubChem CID115293762
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name4-amino-N-cycloheptyl-N-methyloxane-4-carboxamide
SMILESCN(C(=O)C1(N)CCOCC1)C1CCCCCC1
InChIInChI=1S/C14H26N2O2/c1-16(12-6-4-2-3-5-7-12)13(17)14(15)8-10-18-11-9-14/h12H,2-11,15H2,1H3
InChIKeyVRHBZXXZSLOFMJ-UHFFFAOYSA-N
XLogP1.68
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cycloheptyl-N-methyloxane-4-carboxamide?
The IUPAC name of 4-amino-N-cycloheptyl-N-methyloxane-4-carboxamide (CID 115293762) is 4-amino-N-cycloheptyl-N-methyloxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-cycloheptyl-N-methyloxane-4-carboxamide?
The canonical SMILES for 4-amino-N-cycloheptyl-N-methyloxane-4-carboxamide is CN(C(=O)C1(N)CCOCC1)C1CCCCCC1.
What is the InChIKey of 4-amino-N-cycloheptyl-N-methyloxane-4-carboxamide?
The InChIKey is VRHBZXXZSLOFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-16(12-6-4-2-3-5-7-12)13(17)14(15)8-10-18-11-9-14/h12H,2-11,15H2,1H3.
What are the key properties of 4-amino-N-cycloheptyl-N-methyloxane-4-carboxamide?
4-amino-N-cycloheptyl-N-methyloxane-4-carboxamide has a molecular weight of 254.37 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cycloheptyl-N-methyloxane-4-carboxamide is sourced from PubChem (CID 115293762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).