N-[2-[2-methoxyethyl(methyl)amino]ethyl]azepane-2-carboxamide

C13H27N3O2 — CID 64570141

IUPACN-[2-[2-methoxyethyl(methyl)amino]ethyl]azepane-2-carboxamide
SMILESCOCCN(C)CCNC(=O)C1CCCCCN1
InChIInChI=1S/C13H27N3O2/c1-16(10-11-18-2)9-8-15-13(17)12-6-4-3-5-7-14-12/h12,14H,3-11H2,1-2H3,(H,15,17)
InChIKeyKEFJUFMCFJGPIO-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.21
Rot. Bonds7

About N-[2-[2-methoxyethyl(methyl)amino]ethyl]azepane-2-carboxamide

N-[2-[2-methoxyethyl(methyl)amino]ethyl]azepane-2-carboxamide (PubChem CID 64570141) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[2-[2-methoxyethyl(methyl)amino]ethyl]azepane-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-methoxyethyl(methyl)amino]ethyl]azepane-2-carboxamide
PubChem CID64570141
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC NameN-[2-[2-methoxyethyl(methyl)amino]ethyl]azepane-2-carboxamide
SMILESCOCCN(C)CCNC(=O)C1CCCCCN1
InChIInChI=1S/C13H27N3O2/c1-16(10-11-18-2)9-8-15-13(17)12-6-4-3-5-7-14-12/h12,14H,3-11H2,1-2H3,(H,15,17)
InChIKeyKEFJUFMCFJGPIO-UHFFFAOYSA-N
XLogP0.21
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[2-[ethyl(methyl)amino]ethyl]piperidine-2-carboxamide;dihydrochloride
CID 119866061
(2S)-N-(5-methoxypentyl)piperidine-2-carboxamide
CID 103809997
N-[2-[methyl(propan-2-yl)amino]ethyl]piperidine-2-carboxamide
CID 62641689
(2S)-N-[2-[ethyl(methyl)amino]ethyl]pyrrolidine-2-carboxamide
CID 62641676
N-[2-(dimethylcarbamoylamino)ethyl]azepane-2-carboxamide
CID 83110160
methyl 4-(azepane-2-carbonylamino)butanoate
CID 64562876
(2S)-N-[2-[methyl(propan-2-yl)amino]ethyl]pyrrolidine-2-carboxamide
CID 62639882
N-[2-(2-methoxyethylamino)-2-oxoethyl]piperidine-2-carboxamide;hydrochloride
CID 119274167
N-[2-(dimethylcarbamoylamino)ethyl]piperidine-2-carboxamide
CID 83110133
N-[4-(2-methoxyethoxy)butyl]pyrrolidine-2-carboxamide
CID 115626529
N-(3-ethoxypropyl)azepane-2-carboxamide
CID 64562798
N-(3-ethoxypropyl)azocane-2-carboxamide
CID 114240040

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-methoxyethyl(methyl)amino]ethyl]azepane-2-carboxamide?
The IUPAC name of N-[2-[2-methoxyethyl(methyl)amino]ethyl]azepane-2-carboxamide (CID 64570141) is N-[2-[2-methoxyethyl(methyl)amino]ethyl]azepane-2-carboxamide.
What is the SMILES notation for N-[2-[2-methoxyethyl(methyl)amino]ethyl]azepane-2-carboxamide?
The canonical SMILES for N-[2-[2-methoxyethyl(methyl)amino]ethyl]azepane-2-carboxamide is COCCN(C)CCNC(=O)C1CCCCCN1.
What is the InChIKey of N-[2-[2-methoxyethyl(methyl)amino]ethyl]azepane-2-carboxamide?
The InChIKey is KEFJUFMCFJGPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-16(10-11-18-2)9-8-15-13(17)12-6-4-3-5-7-14-12/h12,14H,3-11H2,1-2H3,(H,15,17).
What are the key properties of N-[2-[2-methoxyethyl(methyl)amino]ethyl]azepane-2-carboxamide?
N-[2-[2-methoxyethyl(methyl)amino]ethyl]azepane-2-carboxamide has a molecular weight of 257.38 g/mol, XLogP of 0.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-methoxyethyl(methyl)amino]ethyl]azepane-2-carboxamide is sourced from PubChem (CID 64570141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).