N-(3-aminobutyl)-2-cycloheptyloxypropanamide

C14H28N2O2 — CID 119498510

IUPACN-(3-aminobutyl)-2-cycloheptyloxypropanamide
SMILESCC(N)CCNC(=O)C(C)OC1CCCCCC1
InChIInChI=1S/C14H28N2O2/c1-11(15)9-10-16-14(17)12(2)18-13-7-5-3-4-6-8-13/h11-13H,3-10,15H2,1-2H3,(H,16,17)
InChIKeyOLQPJAYZKUKIJV-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.97
Rot. Bonds6

About N-(3-aminobutyl)-2-cycloheptyloxypropanamide

N-(3-aminobutyl)-2-cycloheptyloxypropanamide (PubChem CID 119498510) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-(3-aminobutyl)-2-cycloheptyloxypropanamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-2-cycloheptyloxypropanamide
PubChem CID119498510
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC NameN-(3-aminobutyl)-2-cycloheptyloxypropanamide
SMILESCC(N)CCNC(=O)C(C)OC1CCCCCC1
InChIInChI=1S/C14H28N2O2/c1-11(15)9-10-16-14(17)12(2)18-13-7-5-3-4-6-8-13/h11-13H,3-10,15H2,1-2H3,(H,16,17)
InChIKeyOLQPJAYZKUKIJV-UHFFFAOYSA-N
XLogP1.97
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-2-cycloheptyloxypropanamide?
The IUPAC name of N-(3-aminobutyl)-2-cycloheptyloxypropanamide (CID 119498510) is N-(3-aminobutyl)-2-cycloheptyloxypropanamide.
What is the SMILES notation for N-(3-aminobutyl)-2-cycloheptyloxypropanamide?
The canonical SMILES for N-(3-aminobutyl)-2-cycloheptyloxypropanamide is CC(N)CCNC(=O)C(C)OC1CCCCCC1.
What is the InChIKey of N-(3-aminobutyl)-2-cycloheptyloxypropanamide?
The InChIKey is OLQPJAYZKUKIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-11(15)9-10-16-14(17)12(2)18-13-7-5-3-4-6-8-13/h11-13H,3-10,15H2,1-2H3,(H,16,17).
What are the key properties of N-(3-aminobutyl)-2-cycloheptyloxypropanamide?
N-(3-aminobutyl)-2-cycloheptyloxypropanamide has a molecular weight of 256.39 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-2-cycloheptyloxypropanamide is sourced from PubChem (CID 119498510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).