N-[2-(cycloheptylamino)ethyl]-1-(2-methoxyethyl)cyclobutane-1-carboxamide

C17H32N2O2 — CID 119620918

IUPACN-[2-(cycloheptylamino)ethyl]-1-(2-methoxyethyl)cyclobutane-1-carboxamide
SMILESCOCCC1(C(=O)NCCNC2CCCCCC2)CCC1
InChIInChI=1S/C17H32N2O2/c1-21-14-11-17(9-6-10-17)16(20)19-13-12-18-15-7-4-2-3-5-8-15/h15,18H,2-14H2,1H3,(H,19,20)
InChIKeyDFMZLIOLULJAEE-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.62
Rot. Bonds8

About N-[2-(cycloheptylamino)ethyl]-1-(2-methoxyethyl)cyclobutane-1-carboxamide

N-[2-(cycloheptylamino)ethyl]-1-(2-methoxyethyl)cyclobutane-1-carboxamide (PubChem CID 119620918) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is N-[2-(cycloheptylamino)ethyl]-1-(2-methoxyethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(cycloheptylamino)ethyl]-1-(2-methoxyethyl)cyclobutane-1-carboxamide
PubChem CID119620918
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC NameN-[2-(cycloheptylamino)ethyl]-1-(2-methoxyethyl)cyclobutane-1-carboxamide
SMILESCOCCC1(C(=O)NCCNC2CCCCCC2)CCC1
InChIInChI=1S/C17H32N2O2/c1-21-14-11-17(9-6-10-17)16(20)19-13-12-18-15-7-4-2-3-5-8-15/h15,18H,2-14H2,1H3,(H,19,20)
InChIKeyDFMZLIOLULJAEE-UHFFFAOYSA-N
XLogP2.62
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.62
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-aminoethyl)-1-(2-methoxyethyl)cyclobutane-1-carboxamide;hydrochloride
CID 119384705
N-[2-(cycloheptylamino)ethyl]-1-methylcyclohexane-1-carboxamide
CID 106828092
N-(3-aminobutyl)-1-(2-methoxyethyl)cyclobutane-1-carboxamide;hydrochloride
CID 119498511
methyl N-[2-(cycloheptylamino)ethyl]carbamate
CID 115306508
N-[2-(cycloheptylamino)ethyl]-2-(2-methoxyethoxy)acetamide;hydrochloride
CID 119620939
1-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)cyclobutane-1-carboxamide
CID 119513564
N-(2-amino-2-methylpropyl)-1-(2-methoxyethyl)cyclobutane-1-carboxamide
CID 119629492
1-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)cyclobutane-1-carboxamide;hydrochloride
CID 119513563
N'-cycloheptyl-N-(2-methoxyethyl)ethane-1,2-diamine
CID 62573665
3-[[1-(2-methoxyethyl)cyclopropanecarbonyl]amino]propanoic acid
CID 120515250
N-(2-amino-2-methylpropyl)-1-(2-methoxyethyl)cyclobutane-1-carboxamide;hydrochloride
CID 119629491
1-(2-methoxyethyl)-N-piperidin-4-ylcyclobutane-1-carboxamide;hydrochloride
CID 119389324

Frequently Asked Questions

What is the IUPAC name of N-[2-(cycloheptylamino)ethyl]-1-(2-methoxyethyl)cyclobutane-1-carboxamide?
The IUPAC name of N-[2-(cycloheptylamino)ethyl]-1-(2-methoxyethyl)cyclobutane-1-carboxamide (CID 119620918) is N-[2-(cycloheptylamino)ethyl]-1-(2-methoxyethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-[2-(cycloheptylamino)ethyl]-1-(2-methoxyethyl)cyclobutane-1-carboxamide?
The canonical SMILES for N-[2-(cycloheptylamino)ethyl]-1-(2-methoxyethyl)cyclobutane-1-carboxamide is COCCC1(C(=O)NCCNC2CCCCCC2)CCC1.
What is the InChIKey of N-[2-(cycloheptylamino)ethyl]-1-(2-methoxyethyl)cyclobutane-1-carboxamide?
The InChIKey is DFMZLIOLULJAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-21-14-11-17(9-6-10-17)16(20)19-13-12-18-15-7-4-2-3-5-8-15/h15,18H,2-14H2,1H3,(H,19,20).
What are the key properties of N-[2-(cycloheptylamino)ethyl]-1-(2-methoxyethyl)cyclobutane-1-carboxamide?
N-[2-(cycloheptylamino)ethyl]-1-(2-methoxyethyl)cyclobutane-1-carboxamide has a molecular weight of 296.45 g/mol, XLogP of 2.62, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cycloheptylamino)ethyl]-1-(2-methoxyethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 119620918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).