2-(methylamino)-N-[2-(2-methylphenoxy)ethyl]acetamide;hydrochloride

C12H19ClN2O2 — CID 119742926

IUPAC2-(methylamino)-N-[2-(2-methylphenoxy)ethyl]acetamide;hydrochloride
SMILESCNCC(=O)NCCOc1ccccc1C.Cl
InChIInChI=1S/C12H18N2O2.ClH/c1-10-5-3-4-6-11(10)16-8-7-14-12(15)9-13-2;/h3-6,13H,7-9H2,1-2H3,(H,14,15);1H
InChIKeyITBUNGPCOIGHCB-UHFFFAOYSA-N
MW258.75 g/mol
LogP1.13
Rot. Bonds6

About 2-(methylamino)-N-[2-(2-methylphenoxy)ethyl]acetamide;hydrochloride

2-(methylamino)-N-[2-(2-methylphenoxy)ethyl]acetamide;hydrochloride (PubChem CID 119742926) has the molecular formula C12H19ClN2O2 and a molecular weight of 258.75 g/mol. Its IUPAC name is 2-(methylamino)-N-[2-(2-methylphenoxy)ethyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(methylamino)-N-[2-(2-methylphenoxy)ethyl]acetamide;hydrochloride
PubChem CID119742926
Molecular FormulaC12H19ClN2O2
Molecular Weight258.75 g/mol
Exact Mass258.11
IUPAC Name2-(methylamino)-N-[2-(2-methylphenoxy)ethyl]acetamide;hydrochloride
SMILESCNCC(=O)NCCOc1ccccc1C.Cl
InChIInChI=1S/C12H18N2O2.ClH/c1-10-5-3-4-6-11(10)16-8-7-14-12(15)9-13-2;/h3-6,13H,7-9H2,1-2H3,(H,14,15);1H
InChIKeyITBUNGPCOIGHCB-UHFFFAOYSA-N
XLogP1.13
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 51.13
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

2-amino-N-[2-(2-methylphenoxy)ethyl]acetamide;hydrochloride
CID 119300070
2-(cyclopropylmethylamino)-N-[2-(2-methylphenoxy)ethyl]acetamide;hydrochloride
CID 119742933
4-(methylamino)-N-[3-(2-methylphenoxy)propyl]butanamide;hydrochloride
CID 119772252
N-methyl-2-(2-methylphenoxy)ethanamine;hydrochloride
CID 17178031
2-(cyclopropylmethylamino)-N-[3-(2-methylphenoxy)propyl]acetamide;hydrochloride
CID 119772272
N-[2-(2-methylphenoxy)ethyl]-3-phenylpropanamide
CID 600522
N-[2-(2-fluorophenoxy)ethyl]-2-(2-methylphenoxy)acetamide
CID 18113601
4-amino-3-methoxy-N-[2-(2-methylphenoxy)ethyl]butanamide;hydrochloride
CID 120589848
3-amino-N-[2-(2-methylphenoxy)ethyl]-3-phenylpropanamide;hydrochloride
CID 119950402
1-ethyl-3-[2-(2-methylphenoxy)ethyl]urea
CID 47307518
N-[2-(2-methylphenoxy)ethyl]-4-phenylbutanamide
CID 60538344
2-cyclopentyl-N-[2-(2-methylphenoxy)ethyl]acetamide
CID 60538479

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[2-(2-methylphenoxy)ethyl]acetamide;hydrochloride?
The IUPAC name of 2-(methylamino)-N-[2-(2-methylphenoxy)ethyl]acetamide;hydrochloride (CID 119742926) is 2-(methylamino)-N-[2-(2-methylphenoxy)ethyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(methylamino)-N-[2-(2-methylphenoxy)ethyl]acetamide;hydrochloride?
The canonical SMILES for 2-(methylamino)-N-[2-(2-methylphenoxy)ethyl]acetamide;hydrochloride is CNCC(=O)NCCOc1ccccc1C.Cl.
What is the InChIKey of 2-(methylamino)-N-[2-(2-methylphenoxy)ethyl]acetamide;hydrochloride?
The InChIKey is ITBUNGPCOIGHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2.ClH/c1-10-5-3-4-6-11(10)16-8-7-14-12(15)9-13-2;/h3-6,13H,7-9H2,1-2H3,(H,14,15);1H.
What are the key properties of 2-(methylamino)-N-[2-(2-methylphenoxy)ethyl]acetamide;hydrochloride?
2-(methylamino)-N-[2-(2-methylphenoxy)ethyl]acetamide;hydrochloride has a molecular weight of 258.75 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[2-(2-methylphenoxy)ethyl]acetamide;hydrochloride is sourced from PubChem (CID 119742926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).