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

C15H23ClN2O2 — CID 119742933

IUPAC2-(cyclopropylmethylamino)-N-[2-(2-methylphenoxy)ethyl]acetamide;hydrochloride
SMILESCc1ccccc1OCCNC(=O)CNCC1CC1.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-12-4-2-3-5-14(12)19-9-8-17-15(18)11-16-10-13-6-7-13;/h2-5,13,16H,6-11H2,1H3,(H,17,18);1H
InChIKeyVRSXNQANWKQFMP-UHFFFAOYSA-N
MW298.81 g/mol
LogP1.91
Rot. Bonds8

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

2-(cyclopropylmethylamino)-N-[2-(2-methylphenoxy)ethyl]acetamide;hydrochloride (PubChem CID 119742933) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[2-(2-methylphenoxy)ethyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[2-(2-methylphenoxy)ethyl]acetamide;hydrochloride
PubChem CID119742933
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name2-(cyclopropylmethylamino)-N-[2-(2-methylphenoxy)ethyl]acetamide;hydrochloride
SMILESCc1ccccc1OCCNC(=O)CNCC1CC1.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-12-4-2-3-5-14(12)19-9-8-17-15(18)11-16-10-13-6-7-13;/h2-5,13,16H,6-11H2,1H3,(H,17,18);1H
InChIKeyVRSXNQANWKQFMP-UHFFFAOYSA-N
XLogP1.91
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 51.91
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-(cyclopropylmethylamino)-N-[3-(2-methylphenoxy)propyl]acetamide;hydrochloride
CID 119772272
2-(cyclopropylmethylamino)-N-[2-(2-phenylphenoxy)ethyl]acetamide;hydrochloride
CID 119754368
2-cyclopentyl-N-[2-(2-methylphenoxy)ethyl]acetamide
CID 60538479
2-(methylamino)-N-[2-(2-methylphenoxy)ethyl]acetamide;hydrochloride
CID 119742926
2-(cyclopropylmethylamino)-N-(2-naphthalen-1-yloxyethyl)acetamide
CID 119738759
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2-methylphenoxy)ethyl]acetamide;hydrochloride
CID 119742935
2-(cyclopropylmethylamino)-N-[2-(2-methylphenyl)ethyl]acetamide;hydrochloride
CID 119688191
2-amino-N-[2-(2-methylphenoxy)ethyl]acetamide;hydrochloride
CID 119300070
2-(cyclopropylmethylamino)-N-(3-phenoxypropyl)acetamide
CID 62380963
2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-N-[3-(2-methylphenoxy)propyl]acetamide
CID 124693226
N-[2-(2-methylphenoxy)ethyl]cyclobutanecarboxamide
CID 113099100
2-(cyclopropylmethylamino)-N-[2-(2-methylphenoxy)butyl]acetamide
CID 119819945

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[2-(2-methylphenoxy)ethyl]acetamide;hydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[2-(2-methylphenoxy)ethyl]acetamide;hydrochloride (CID 119742933) is 2-(cyclopropylmethylamino)-N-[2-(2-methylphenoxy)ethyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[2-(2-methylphenoxy)ethyl]acetamide;hydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[2-(2-methylphenoxy)ethyl]acetamide;hydrochloride is Cc1ccccc1OCCNC(=O)CNCC1CC1.Cl.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[2-(2-methylphenoxy)ethyl]acetamide;hydrochloride?
The InChIKey is VRSXNQANWKQFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2.ClH/c1-12-4-2-3-5-14(12)19-9-8-17-15(18)11-16-10-13-6-7-13;/h2-5,13,16H,6-11H2,1H3,(H,17,18);1H.
What are the key properties of 2-(cyclopropylmethylamino)-N-[2-(2-methylphenoxy)ethyl]acetamide;hydrochloride?
2-(cyclopropylmethylamino)-N-[2-(2-methylphenoxy)ethyl]acetamide;hydrochloride has a molecular weight of 298.81 g/mol, XLogP of 1.91, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[2-(2-methylphenoxy)ethyl]acetamide;hydrochloride is sourced from PubChem (CID 119742933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).