N-[2-(cycloheptylamino)ethyl]-2-(2-methoxyethoxy)acetamide;hydrochloride

C14H29ClN2O3 — CID 119620939

IUPACN-[2-(cycloheptylamino)ethyl]-2-(2-methoxyethoxy)acetamide;hydrochloride
SMILESCOCCOCC(=O)NCCNC1CCCCCC1.Cl
InChIInChI=1S/C14H28N2O3.ClH/c1-18-10-11-19-12-14(17)16-9-8-15-13-6-4-2-3-5-7-13;/h13,15H,2-12H2,1H3,(H,16,17);1H
InChIKeyLIFPVLVVQUYFGM-UHFFFAOYSA-N
MW308.85 g/mol
LogP1.50
Rot. Bonds9

About N-[2-(cycloheptylamino)ethyl]-2-(2-methoxyethoxy)acetamide;hydrochloride

N-[2-(cycloheptylamino)ethyl]-2-(2-methoxyethoxy)acetamide;hydrochloride (PubChem CID 119620939) has the molecular formula C14H29ClN2O3 and a molecular weight of 308.85 g/mol. Its IUPAC name is N-[2-(cycloheptylamino)ethyl]-2-(2-methoxyethoxy)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(cycloheptylamino)ethyl]-2-(2-methoxyethoxy)acetamide;hydrochloride
PubChem CID119620939
Molecular FormulaC14H29ClN2O3
Molecular Weight308.85 g/mol
Exact Mass308.19
IUPAC NameN-[2-(cycloheptylamino)ethyl]-2-(2-methoxyethoxy)acetamide;hydrochloride
SMILESCOCCOCC(=O)NCCNC1CCCCCC1.Cl
InChIInChI=1S/C14H28N2O3.ClH/c1-18-10-11-19-12-14(17)16-9-8-15-13-6-4-2-3-5-7-13;/h13,15H,2-12H2,1H3,(H,16,17);1H
InChIKeyLIFPVLVVQUYFGM-UHFFFAOYSA-N
XLogP1.50
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 51.50
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-(cycloheptylamino)ethyl]-2-pentoxyacetamide;hydrochloride
CID 119619329
N-[2-(cycloheptylamino)ethyl]-4-ethoxybutanamide;hydrochloride
CID 119619598
3-(cycloheptylamino)-N-(3-methoxypropyl)propanamide
CID 109015383
methyl N-[2-(cycloheptylamino)ethyl]carbamate
CID 115306508
2-(2-methoxyethoxy)-N-(2-piperidin-1-ylethyl)acetamide
CID 113223173
N-(2-methoxyethyl)cycloheptanamine
CID 22484521
2-(2-methoxyethoxy)-N-(3-piperidin-1-ylpropyl)acetamide
CID 113220096
N-[2-(cycloheptylamino)ethyl]-1-(2-methoxyethyl)cyclobutane-1-carboxamide
CID 119620918
N-[2-(cyclononylamino)ethyl]acetamide
CID 154969023
2-(2-methoxyethoxy)-N-(3-methoxypropyl)acetamide
CID 103601588
2-(2-methoxyethoxy)-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]acetamide
CID 175629817
N-[2-(cycloheptylamino)ethyl]-2-(dimethylamino)acetamide
CID 113283329

Frequently Asked Questions

What is the IUPAC name of N-[2-(cycloheptylamino)ethyl]-2-(2-methoxyethoxy)acetamide;hydrochloride?
The IUPAC name of N-[2-(cycloheptylamino)ethyl]-2-(2-methoxyethoxy)acetamide;hydrochloride (CID 119620939) is N-[2-(cycloheptylamino)ethyl]-2-(2-methoxyethoxy)acetamide;hydrochloride.
What is the SMILES notation for N-[2-(cycloheptylamino)ethyl]-2-(2-methoxyethoxy)acetamide;hydrochloride?
The canonical SMILES for N-[2-(cycloheptylamino)ethyl]-2-(2-methoxyethoxy)acetamide;hydrochloride is COCCOCC(=O)NCCNC1CCCCCC1.Cl.
What is the InChIKey of N-[2-(cycloheptylamino)ethyl]-2-(2-methoxyethoxy)acetamide;hydrochloride?
The InChIKey is LIFPVLVVQUYFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3.ClH/c1-18-10-11-19-12-14(17)16-9-8-15-13-6-4-2-3-5-7-13;/h13,15H,2-12H2,1H3,(H,16,17);1H.
What are the key properties of N-[2-(cycloheptylamino)ethyl]-2-(2-methoxyethoxy)acetamide;hydrochloride?
N-[2-(cycloheptylamino)ethyl]-2-(2-methoxyethoxy)acetamide;hydrochloride has a molecular weight of 308.85 g/mol, XLogP of 1.50, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cycloheptylamino)ethyl]-2-(2-methoxyethoxy)acetamide;hydrochloride is sourced from PubChem (CID 119620939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).