N-[3-(dimethylamino)propyl]-2-(2,5-dimethylphenoxy)acetamide;hydrochloride

C15H25ClN2O2 — CID 163329160

IUPACN-[3-(dimethylamino)propyl]-2-(2,5-dimethylphenoxy)acetamide;hydrochloride
SMILESCc1ccc(C)c(OCC(=O)NCCCN(C)C)c1.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-12-6-7-13(2)14(10-12)19-11-15(18)16-8-5-9-17(3)4;/h6-7,10H,5,8-9,11H2,1-4H3,(H,16,18);1H
InChIKeyXXOYENCIMCBQEH-UHFFFAOYSA-N
MW300.83 g/mol
LogP2.17
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-2-(2,5-dimethylphenoxy)acetamide;hydrochloride

N-[3-(dimethylamino)propyl]-2-(2,5-dimethylphenoxy)acetamide;hydrochloride (PubChem CID 163329160) has the molecular formula C15H25ClN2O2 and a molecular weight of 300.83 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-(2,5-dimethylphenoxy)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-(2,5-dimethylphenoxy)acetamide;hydrochloride
PubChem CID163329160
Molecular FormulaC15H25ClN2O2
Molecular Weight300.83 g/mol
Exact Mass300.16
IUPAC NameN-[3-(dimethylamino)propyl]-2-(2,5-dimethylphenoxy)acetamide;hydrochloride
SMILESCc1ccc(C)c(OCC(=O)NCCCN(C)C)c1.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-12-6-7-13(2)14(10-12)19-11-15(18)16-8-5-9-17(3)4;/h6-7,10H,5,8-9,11H2,1-4H3,(H,16,18);1H
InChIKeyXXOYENCIMCBQEH-UHFFFAOYSA-N
XLogP2.17
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 52.17
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

2-(2,5-dimethylphenoxy)-N-[8-[[2-(2,5-dimethylphenoxy)acetyl]amino]octyl]acetamide
CID 17233348
2-(2,5-dimethylphenoxy)-N-heptylacetamide
CID 3468528
2-(4-chloro-3,5-dimethylphenoxy)-N-[3-(dimethylamino)propyl]acetamide
CID 2268369
2-(2,5-dimethylphenoxy)-N-(2-hydroxypropyl)acetamide
CID 43391088
N-(3-aminobutyl)-2-(2,5-dimethylphenoxy)acetamide;hydrochloride
CID 119497986
N-butyl-2-(2,4-dimethylphenoxy)acetamide
CID 17142931
3-(2,5-dimethylphenoxy)-N-(5-hydroxypentyl)propanamide
CID 107318602
N'-(2-chloroacetyl)-2-(2,5-dimethylphenoxy)acetohydrazide
CID 166414788
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-methoxyacetohydrazide
CID 47102429
2-(2,5-dimethylphenoxy)-N-[(2-methylpropan-2-yl)oxy]acetamide
CID 82723508
4-[3-(2,5-dimethylphenoxy)propanoylamino]butanamide
CID 56812747
3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-2-hydroxypropanoic acid
CID 66168097

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-(2,5-dimethylphenoxy)acetamide;hydrochloride?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-(2,5-dimethylphenoxy)acetamide;hydrochloride (CID 163329160) is N-[3-(dimethylamino)propyl]-2-(2,5-dimethylphenoxy)acetamide;hydrochloride.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-(2,5-dimethylphenoxy)acetamide;hydrochloride?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-(2,5-dimethylphenoxy)acetamide;hydrochloride is Cc1ccc(C)c(OCC(=O)NCCCN(C)C)c1.Cl.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-(2,5-dimethylphenoxy)acetamide;hydrochloride?
The InChIKey is XXOYENCIMCBQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2.ClH/c1-12-6-7-13(2)14(10-12)19-11-15(18)16-8-5-9-17(3)4;/h6-7,10H,5,8-9,11H2,1-4H3,(H,16,18);1H.
What are the key properties of N-[3-(dimethylamino)propyl]-2-(2,5-dimethylphenoxy)acetamide;hydrochloride?
N-[3-(dimethylamino)propyl]-2-(2,5-dimethylphenoxy)acetamide;hydrochloride has a molecular weight of 300.83 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-(2,5-dimethylphenoxy)acetamide;hydrochloride is sourced from PubChem (CID 163329160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).