N-[3-(4-chlorophenyl)pentan-3-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride

C16H26Cl2N2O2 — CID 119769493

IUPACN-[3-(4-chlorophenyl)pentan-3-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride
SMILESCCC(CC)(NC(=O)CNCCOC)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C16H25ClN2O2.ClH/c1-4-16(5-2,13-6-8-14(17)9-7-13)19-15(20)12-18-10-11-21-3;/h6-9,18H,4-5,10-12H2,1-3H3,(H,19,20);1H
InChIKeyNHCGYDOMNUHLFD-UHFFFAOYSA-N
MW349.30 g/mol
LogP3.13
Rot. Bonds9

About N-[3-(4-chlorophenyl)pentan-3-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride

N-[3-(4-chlorophenyl)pentan-3-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride (PubChem CID 119769493) has the molecular formula C16H26Cl2N2O2 and a molecular weight of 349.30 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)pentan-3-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)pentan-3-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride
PubChem CID119769493
Molecular FormulaC16H26Cl2N2O2
Molecular Weight349.30 g/mol
Exact Mass348.14
IUPAC NameN-[3-(4-chlorophenyl)pentan-3-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride
SMILESCCC(CC)(NC(=O)CNCCOC)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C16H25ClN2O2.ClH/c1-4-16(5-2,13-6-8-14(17)9-7-13)19-15(20)12-18-10-11-21-3;/h6-9,18H,4-5,10-12H2,1-3H3,(H,19,20);1H
InChIKeyNHCGYDOMNUHLFD-UHFFFAOYSA-N
XLogP3.13
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.30
LogP ≤ 53.13
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

3-amino-N-[3-(4-chlorophenyl)pentan-3-yl]propanamide
CID 119315395
N-[(4-chlorophenyl)methyl]-2-(2-methoxyethylamino)acetamide
CID 78908353
N-[2-(4-chlorophenyl)sulfanylethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119691382
N-[(2-chlorophenyl)methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119673533
N-[2-(4-chlorophenoxy)propyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119804666
N-(5-chloro-2-methoxyphenyl)-2-(2-methoxyethylamino)acetamide
CID 78908383
N-(5-chloro-2-ethylsulfanylphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119776586
N-[3-(2,4-dichlorophenoxy)propyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119754516
1-[(4-chlorophenyl)methyl]-4-[2-(2-methoxyethylamino)acetyl]piperazin-2-one;hydrochloride
CID 119795968
2-(2-methoxyethylamino)-N-[2-methyl-1-(2-methylphenyl)propan-2-yl]acetamide;hydrochloride
CID 86813968
N-[1-(4-chlorophenyl)-4-methylpentyl]-2-(2-methoxyethylamino)acetamide
CID 119730916
N-[1-(2,4-dichlorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119683876

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)pentan-3-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
The IUPAC name of N-[3-(4-chlorophenyl)pentan-3-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride (CID 119769493) is N-[3-(4-chlorophenyl)pentan-3-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride.
What is the SMILES notation for N-[3-(4-chlorophenyl)pentan-3-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
The canonical SMILES for N-[3-(4-chlorophenyl)pentan-3-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride is CCC(CC)(NC(=O)CNCCOC)c1ccc(Cl)cc1.Cl.
What is the InChIKey of N-[3-(4-chlorophenyl)pentan-3-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
The InChIKey is NHCGYDOMNUHLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O2.ClH/c1-4-16(5-2,13-6-8-14(17)9-7-13)19-15(20)12-18-10-11-21-3;/h6-9,18H,4-5,10-12H2,1-3H3,(H,19,20);1H.
What are the key properties of N-[3-(4-chlorophenyl)pentan-3-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
N-[3-(4-chlorophenyl)pentan-3-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride has a molecular weight of 349.30 g/mol, XLogP of 3.13, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)pentan-3-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride is sourced from PubChem (CID 119769493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).