N-[3-(4-chlorophenoxy)propyl]-N-methyl-2-(methylamino)acetamide;hydrochloride

C13H20Cl2N2O2 — CID 119739919

IUPACN-[3-(4-chlorophenoxy)propyl]-N-methyl-2-(methylamino)acetamide;hydrochloride
SMILESCNCC(=O)N(C)CCCOc1ccc(Cl)cc1.Cl
InChIInChI=1S/C13H19ClN2O2.ClH/c1-15-10-13(17)16(2)8-3-9-18-12-6-4-11(14)5-7-12;/h4-7,15H,3,8-10H2,1-2H3;1H
InChIKeyKBEUSSOHBFBBRI-UHFFFAOYSA-N
MW307.22 g/mol
LogP2.21
Rot. Bonds7

About N-[3-(4-chlorophenoxy)propyl]-N-methyl-2-(methylamino)acetamide;hydrochloride

N-[3-(4-chlorophenoxy)propyl]-N-methyl-2-(methylamino)acetamide;hydrochloride (PubChem CID 119739919) has the molecular formula C13H20Cl2N2O2 and a molecular weight of 307.22 g/mol. Its IUPAC name is N-[3-(4-chlorophenoxy)propyl]-N-methyl-2-(methylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(4-chlorophenoxy)propyl]-N-methyl-2-(methylamino)acetamide;hydrochloride
PubChem CID119739919
Molecular FormulaC13H20Cl2N2O2
Molecular Weight307.22 g/mol
Exact Mass306.09
IUPAC NameN-[3-(4-chlorophenoxy)propyl]-N-methyl-2-(methylamino)acetamide;hydrochloride
SMILESCNCC(=O)N(C)CCCOc1ccc(Cl)cc1.Cl
InChIInChI=1S/C13H19ClN2O2.ClH/c1-15-10-13(17)16(2)8-3-9-18-12-6-4-11(14)5-7-12;/h4-7,15H,3,8-10H2,1-2H3;1H
InChIKeyKBEUSSOHBFBBRI-UHFFFAOYSA-N
XLogP2.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.22
LogP ≤ 52.21
H-Bond Donors ≤ 51
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-(4-chlorophenoxy)ethyl]-N-methyl-4-(methylamino)butanamide
CID 54868859
N-[2-[3-(4-chlorophenoxy)propyl-methylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 55948688
4-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylbutanamide
CID 63307950
3-[3-(4-chlorophenoxy)propyl-methylamino]propanoic acid
CID 19816774
1-amino-N-[3-(4-chlorophenoxy)propyl]-N-methylcyclopropane-1-carboxamide;hydrochloride
CID 119739903
N-[3-[3-(4-chlorophenoxy)propyl-methylamino]-3-oxopropyl]benzamide
CID 55896935
2-chloro-N-[2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]benzamide
CID 31190115
methyl 2-[3-(4-chlorophenoxy)propyl-methylamino]acetate
CID 60670349
1-[3-(4-chlorophenoxy)propyl]-3-(1-methoxypropan-2-yl)-1-methylurea
CID 119068006
N-[3-(4-chlorophenoxy)propyl]-2-(3-methoxy-4-methylphenyl)-N-methylacetamide
CID 55898481
N-[3-(4-fluorophenoxy)propyl]-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride
CID 119733058
N-[3-(4-chlorophenoxy)propyl]-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-methylacetamide
CID 55898087

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenoxy)propyl]-N-methyl-2-(methylamino)acetamide;hydrochloride?
The IUPAC name of N-[3-(4-chlorophenoxy)propyl]-N-methyl-2-(methylamino)acetamide;hydrochloride (CID 119739919) is N-[3-(4-chlorophenoxy)propyl]-N-methyl-2-(methylamino)acetamide;hydrochloride.
What is the SMILES notation for N-[3-(4-chlorophenoxy)propyl]-N-methyl-2-(methylamino)acetamide;hydrochloride?
The canonical SMILES for N-[3-(4-chlorophenoxy)propyl]-N-methyl-2-(methylamino)acetamide;hydrochloride is CNCC(=O)N(C)CCCOc1ccc(Cl)cc1.Cl.
What is the InChIKey of N-[3-(4-chlorophenoxy)propyl]-N-methyl-2-(methylamino)acetamide;hydrochloride?
The InChIKey is KBEUSSOHBFBBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2.ClH/c1-15-10-13(17)16(2)8-3-9-18-12-6-4-11(14)5-7-12;/h4-7,15H,3,8-10H2,1-2H3;1H.
What are the key properties of N-[3-(4-chlorophenoxy)propyl]-N-methyl-2-(methylamino)acetamide;hydrochloride?
N-[3-(4-chlorophenoxy)propyl]-N-methyl-2-(methylamino)acetamide;hydrochloride has a molecular weight of 307.22 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenoxy)propyl]-N-methyl-2-(methylamino)acetamide;hydrochloride is sourced from PubChem (CID 119739919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).