N-[2-(cycloheptylamino)ethyl]-1,4-dioxane-2-carboxamide

C14H26N2O3 — CID 81424330

IUPACN-[2-(cycloheptylamino)ethyl]-1,4-dioxane-2-carboxamide
SMILESO=C(NCCNC1CCCCCC1)C1COCCO1
InChIInChI=1S/C14H26N2O3/c17-14(13-11-18-9-10-19-13)16-8-7-15-12-5-3-1-2-4-6-12/h12-13,15H,1-11H2,(H,16,17)
InChIKeyKOIQMYDEZKWIGC-UHFFFAOYSA-N
MW270.37 g/mol
LogP0.83
Rot. Bonds5

About N-[2-(cycloheptylamino)ethyl]-1,4-dioxane-2-carboxamide

N-[2-(cycloheptylamino)ethyl]-1,4-dioxane-2-carboxamide (PubChem CID 81424330) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is N-[2-(cycloheptylamino)ethyl]-1,4-dioxane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cycloheptylamino)ethyl]-1,4-dioxane-2-carboxamide
PubChem CID81424330
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC NameN-[2-(cycloheptylamino)ethyl]-1,4-dioxane-2-carboxamide
SMILESO=C(NCCNC1CCCCCC1)C1COCCO1
InChIInChI=1S/C14H26N2O3/c17-14(13-11-18-9-10-19-13)16-8-7-15-12-5-3-1-2-4-6-12/h12-13,15H,1-11H2,(H,16,17)
InChIKeyKOIQMYDEZKWIGC-UHFFFAOYSA-N
XLogP0.83
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(propylamino)ethyl]-1,4-dioxane-2-carboxamide
CID 62657483
N-(6-chlorohexyl)-1,4-dioxane-2-carboxamide
CID 107847283
N-[(2-hydroxycyclohexyl)methyl]-1,4-dioxane-2-carboxamide
CID 64911345
N-(6-bromohexyl)-1,4-dioxane-2-carboxamide
CID 107847920
N-[(2-chlorocyclohexyl)methyl]-1,4-dioxane-2-carboxamide
CID 114301649
N-(2-piperidin-3-ylethyl)-1,4-dioxane-2-carboxamide
CID 62799919
N-[3-(2-bromoethoxy)propyl]-1,4-dioxane-2-carboxamide
CID 106307776
N-(2-amino-2-methylpropyl)-1,4-dioxane-2-carboxamide
CID 81424788
N-[2-(cyclononylamino)ethyl]acetamide
CID 154969023
N-[(1-aminocyclohexyl)methyl]-1,4-dioxane-2-carboxamide;hydrochloride
CID 119259789
N-(4-azidobutyl)-1,4-dioxane-2-carboxamide
CID 106386429
N-[(3-chlorocyclohexyl)methyl]-1,4-dioxane-2-carboxamide
CID 106131913

Frequently Asked Questions

What is the IUPAC name of N-[2-(cycloheptylamino)ethyl]-1,4-dioxane-2-carboxamide?
The IUPAC name of N-[2-(cycloheptylamino)ethyl]-1,4-dioxane-2-carboxamide (CID 81424330) is N-[2-(cycloheptylamino)ethyl]-1,4-dioxane-2-carboxamide.
What is the SMILES notation for N-[2-(cycloheptylamino)ethyl]-1,4-dioxane-2-carboxamide?
The canonical SMILES for N-[2-(cycloheptylamino)ethyl]-1,4-dioxane-2-carboxamide is O=C(NCCNC1CCCCCC1)C1COCCO1.
What is the InChIKey of N-[2-(cycloheptylamino)ethyl]-1,4-dioxane-2-carboxamide?
The InChIKey is KOIQMYDEZKWIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c17-14(13-11-18-9-10-19-13)16-8-7-15-12-5-3-1-2-4-6-12/h12-13,15H,1-11H2,(H,16,17).
What are the key properties of N-[2-(cycloheptylamino)ethyl]-1,4-dioxane-2-carboxamide?
N-[2-(cycloheptylamino)ethyl]-1,4-dioxane-2-carboxamide has a molecular weight of 270.37 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cycloheptylamino)ethyl]-1,4-dioxane-2-carboxamide is sourced from PubChem (CID 81424330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).