N-[2-(2-methoxyethylamino)ethyl]cycloheptanecarboxamide

C13H26N2O2 — CID 82994613

IUPACN-[2-(2-methoxyethylamino)ethyl]cycloheptanecarboxamide
SMILESCOCCNCCNC(=O)C1CCCCCC1
InChIInChI=1S/C13H26N2O2/c1-17-11-10-14-8-9-15-13(16)12-6-4-2-3-5-7-12/h12,14H,2-11H2,1H3,(H,15,16)
InChIKeyBASKKYMXHZCZPR-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.31
Rot. Bonds7

About N-[2-(2-methoxyethylamino)ethyl]cycloheptanecarboxamide

N-[2-(2-methoxyethylamino)ethyl]cycloheptanecarboxamide (PubChem CID 82994613) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-[2-(2-methoxyethylamino)ethyl]cycloheptanecarboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethylamino)ethyl]cycloheptanecarboxamide
PubChem CID82994613
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-[2-(2-methoxyethylamino)ethyl]cycloheptanecarboxamide
SMILESCOCCNCCNC(=O)C1CCCCCC1
InChIInChI=1S/C13H26N2O2/c1-17-11-10-14-8-9-15-13(16)12-6-4-2-3-5-7-12/h12,14H,2-11H2,1H3,(H,15,16)
InChIKeyBASKKYMXHZCZPR-UHFFFAOYSA-N
XLogP1.31
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methoxyethylamino)ethyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 82994614
3,3-difluoro-N-[2-(2-methoxyethylamino)ethyl]cyclopentane-1-carboxamide
CID 114226519
N-[2-(2-methoxyethylamino)ethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 82993999
N-[2-(2-methoxyethylamino)ethyl]-1,1-dioxothiolane-3-carboxamide
CID 82994785
1-(cyclohexanecarbonylamino)-3-(2-methoxyethyl)thiourea
CID 17373263
N-[2-(propylamino)ethyl]cyclobutanecarboxamide
CID 62658991
N-[2-(2-methoxyethylamino)ethyl]oxolane-2-carboxamide
CID 82993664
N-(3-methoxypropyl)cyclopropanecarboxamide
CID 5052597
N-(2-methoxyethyl)-4-(piperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145922
N-propylcyclooctanecarboxamide
CID 65022755
N-[2-[[N-(2-methoxyethyl)-N'-methylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 110940168
N-[2-(3-methoxypropylcarbamothioylamino)ethyl]cyclopropanecarboxamide
CID 113218411

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethylamino)ethyl]cycloheptanecarboxamide?
The IUPAC name of N-[2-(2-methoxyethylamino)ethyl]cycloheptanecarboxamide (CID 82994613) is N-[2-(2-methoxyethylamino)ethyl]cycloheptanecarboxamide.
What is the SMILES notation for N-[2-(2-methoxyethylamino)ethyl]cycloheptanecarboxamide?
The canonical SMILES for N-[2-(2-methoxyethylamino)ethyl]cycloheptanecarboxamide is COCCNCCNC(=O)C1CCCCCC1.
What is the InChIKey of N-[2-(2-methoxyethylamino)ethyl]cycloheptanecarboxamide?
The InChIKey is BASKKYMXHZCZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-17-11-10-14-8-9-15-13(16)12-6-4-2-3-5-7-12/h12,14H,2-11H2,1H3,(H,15,16).
What are the key properties of N-[2-(2-methoxyethylamino)ethyl]cycloheptanecarboxamide?
N-[2-(2-methoxyethylamino)ethyl]cycloheptanecarboxamide has a molecular weight of 242.36 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethylamino)ethyl]cycloheptanecarboxamide is sourced from PubChem (CID 82994613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).