N-[2-(4-chlorophenoxy)propyl]-2-(2-methoxyethylamino)acetamide;hydrochloride

C14H22Cl2N2O3 — CID 119804666

IUPACN-[2-(4-chlorophenoxy)propyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
SMILESCOCCNCC(=O)NCC(C)Oc1ccc(Cl)cc1.Cl
InChIInChI=1S/C14H21ClN2O3.ClH/c1-11(20-13-5-3-12(15)4-6-13)9-17-14(18)10-16-7-8-19-2;/h3-6,11,16H,7-10H2,1-2H3,(H,17,18);1H
InChIKeyNXONGWVRSJIBPD-UHFFFAOYSA-N
MW337.25 g/mol
LogP1.88
Rot. Bonds9

About N-[2-(4-chlorophenoxy)propyl]-2-(2-methoxyethylamino)acetamide;hydrochloride

N-[2-(4-chlorophenoxy)propyl]-2-(2-methoxyethylamino)acetamide;hydrochloride (PubChem CID 119804666) has the molecular formula C14H22Cl2N2O3 and a molecular weight of 337.25 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)propyl]-2-(2-methoxyethylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)propyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
PubChem CID119804666
Molecular FormulaC14H22Cl2N2O3
Molecular Weight337.25 g/mol
Exact Mass336.10
IUPAC NameN-[2-(4-chlorophenoxy)propyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
SMILESCOCCNCC(=O)NCC(C)Oc1ccc(Cl)cc1.Cl
InChIInChI=1S/C14H21ClN2O3.ClH/c1-11(20-13-5-3-12(15)4-6-13)9-17-14(18)10-16-7-8-19-2;/h3-6,11,16H,7-10H2,1-2H3,(H,17,18);1H
InChIKeyNXONGWVRSJIBPD-UHFFFAOYSA-N
XLogP1.88
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.25
LogP ≤ 51.88
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

2-amino-N-[2-(4-chlorophenoxy)propyl]acetamide;hydrochloride
CID 119335581
N-[(4-chlorophenyl)methyl]-2-(2-methoxyethylamino)acetamide
CID 78908353
2-(2-methoxyethylamino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide;hydrochloride
CID 119707353
N-[2-(4-chlorophenyl)sulfanylethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119691382
4-chloro-N-[2-(4-chlorophenoxy)propyl]benzamide
CID 51065326
N-[2-(4-chlorophenoxy)propyl]-3-hydroxy-4-methylpentanamide
CID 75431267
2-(2-methoxyethylamino)-N-[2-(4-propan-2-ylphenoxy)ethyl]acetamide
CID 119735524
N-[2-(4-chlorophenoxy)propyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 71993780
N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 86813916
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(2-methoxyethylamino)acetamide
CID 78912541
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-[2-(4-chlorophenoxy)propyl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
The IUPAC name of N-[2-(4-chlorophenoxy)propyl]-2-(2-methoxyethylamino)acetamide;hydrochloride (CID 119804666) is N-[2-(4-chlorophenoxy)propyl]-2-(2-methoxyethylamino)acetamide;hydrochloride.
What is the SMILES notation for N-[2-(4-chlorophenoxy)propyl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
The canonical SMILES for N-[2-(4-chlorophenoxy)propyl]-2-(2-methoxyethylamino)acetamide;hydrochloride is COCCNCC(=O)NCC(C)Oc1ccc(Cl)cc1.Cl.
What is the InChIKey of N-[2-(4-chlorophenoxy)propyl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
The InChIKey is NXONGWVRSJIBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3.ClH/c1-11(20-13-5-3-12(15)4-6-13)9-17-14(18)10-16-7-8-19-2;/h3-6,11,16H,7-10H2,1-2H3,(H,17,18);1H.
What are the key properties of N-[2-(4-chlorophenoxy)propyl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
N-[2-(4-chlorophenoxy)propyl]-2-(2-methoxyethylamino)acetamide;hydrochloride has a molecular weight of 337.25 g/mol, XLogP of 1.88, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)propyl]-2-(2-methoxyethylamino)acetamide;hydrochloride is sourced from PubChem (CID 119804666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).