N-[2-(cycloheptylamino)ethyl]-2-(2-ethoxyethoxy)propanamide;hydrochloride

C16H33ClN2O3 — CID 119620567

IUPACN-[2-(cycloheptylamino)ethyl]-2-(2-ethoxyethoxy)propanamide;hydrochloride
SMILESCCOCCOC(C)C(=O)NCCNC1CCCCCC1.Cl
InChIInChI=1S/C16H32N2O3.ClH/c1-3-20-12-13-21-14(2)16(19)18-11-10-17-15-8-6-4-5-7-9-15;/h14-15,17H,3-13H2,1-2H3,(H,18,19);1H
InChIKeyCHXMKCLDKPYFHI-UHFFFAOYSA-N
MW336.90 g/mol
LogP2.28
Rot. Bonds10

About N-[2-(cycloheptylamino)ethyl]-2-(2-ethoxyethoxy)propanamide;hydrochloride

N-[2-(cycloheptylamino)ethyl]-2-(2-ethoxyethoxy)propanamide;hydrochloride (PubChem CID 119620567) has the molecular formula C16H33ClN2O3 and a molecular weight of 336.90 g/mol. Its IUPAC name is N-[2-(cycloheptylamino)ethyl]-2-(2-ethoxyethoxy)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(cycloheptylamino)ethyl]-2-(2-ethoxyethoxy)propanamide;hydrochloride
PubChem CID119620567
Molecular FormulaC16H33ClN2O3
Molecular Weight336.90 g/mol
Exact Mass336.22
IUPAC NameN-[2-(cycloheptylamino)ethyl]-2-(2-ethoxyethoxy)propanamide;hydrochloride
SMILESCCOCCOC(C)C(=O)NCCNC1CCCCCC1.Cl
InChIInChI=1S/C16H32N2O3.ClH/c1-3-20-12-13-21-14(2)16(19)18-11-10-17-15-8-6-4-5-7-9-15;/h14-15,17H,3-13H2,1-2H3,(H,18,19);1H
InChIKeyCHXMKCLDKPYFHI-UHFFFAOYSA-N
XLogP2.28
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.90
LogP ≤ 52.28
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

(2S)-2-(2-ethoxyethoxy)-N-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]propanamide
CID 95295293
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CID 119619598
N-[2-(cyclododecylamino)ethyl]-2-methylpropanamide
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N-[2-(cyclohexylamino)ethyl]-2-methylpropanamide
CID 28651344
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CID 119620824
(2R)-2-(2-ethoxyethoxy)-N-[[(3S)-1-ethylpiperidin-3-yl]methyl]propanamide
CID 95161072
N-(3-aminopropyl)-2-(2-ethoxyethoxy)propanamide
CID 119407373
N-[2-(cyclononylamino)ethyl]acetamide
CID 154969023
N-[2-(cycloheptylamino)ethyl]-2-(2-methoxyethoxy)acetamide;hydrochloride
CID 119620939
N-[2-(cycloheptylamino)ethyl]-2-cyclopropylpropanamide
CID 81482446
N-cyclohexyl-2-ethoxypropanamide
CID 137320539

Frequently Asked Questions

What is the IUPAC name of N-[2-(cycloheptylamino)ethyl]-2-(2-ethoxyethoxy)propanamide;hydrochloride?
The IUPAC name of N-[2-(cycloheptylamino)ethyl]-2-(2-ethoxyethoxy)propanamide;hydrochloride (CID 119620567) is N-[2-(cycloheptylamino)ethyl]-2-(2-ethoxyethoxy)propanamide;hydrochloride.
What is the SMILES notation for N-[2-(cycloheptylamino)ethyl]-2-(2-ethoxyethoxy)propanamide;hydrochloride?
The canonical SMILES for N-[2-(cycloheptylamino)ethyl]-2-(2-ethoxyethoxy)propanamide;hydrochloride is CCOCCOC(C)C(=O)NCCNC1CCCCCC1.Cl.
What is the InChIKey of N-[2-(cycloheptylamino)ethyl]-2-(2-ethoxyethoxy)propanamide;hydrochloride?
The InChIKey is CHXMKCLDKPYFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3.ClH/c1-3-20-12-13-21-14(2)16(19)18-11-10-17-15-8-6-4-5-7-9-15;/h14-15,17H,3-13H2,1-2H3,(H,18,19);1H.
What are the key properties of N-[2-(cycloheptylamino)ethyl]-2-(2-ethoxyethoxy)propanamide;hydrochloride?
N-[2-(cycloheptylamino)ethyl]-2-(2-ethoxyethoxy)propanamide;hydrochloride has a molecular weight of 336.90 g/mol, XLogP of 2.28, 10 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-ethoxyethoxy)propanamide;hydrochloride is sourced from PubChem (CID 119620567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).