N-[2-(3-methylphenoxy)ethyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride

C16H25ClN2O3 — CID 119689703

IUPACN-[2-(3-methylphenoxy)ethyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
SMILESCc1cccc(OCCNC(=O)CNCC2CCCO2)c1.Cl
InChIInChI=1S/C16H24N2O3.ClH/c1-13-4-2-5-14(10-13)21-9-7-18-16(19)12-17-11-15-6-3-8-20-15;/h2,4-5,10,15,17H,3,6-9,11-12H2,1H3,(H,18,19);1H
InChIKeyCQVYQGZYRVMSIN-UHFFFAOYSA-N
MW328.84 g/mol
LogP1.68
Rot. Bonds8

About N-[2-(3-methylphenoxy)ethyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride

N-[2-(3-methylphenoxy)ethyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride (PubChem CID 119689703) has the molecular formula C16H25ClN2O3 and a molecular weight of 328.84 g/mol. Its IUPAC name is N-[2-(3-methylphenoxy)ethyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(3-methylphenoxy)ethyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
PubChem CID119689703
Molecular FormulaC16H25ClN2O3
Molecular Weight328.84 g/mol
Exact Mass328.16
IUPAC NameN-[2-(3-methylphenoxy)ethyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
SMILESCc1cccc(OCCNC(=O)CNCC2CCCO2)c1.Cl
InChIInChI=1S/C16H24N2O3.ClH/c1-13-4-2-5-14(10-13)21-9-7-18-16(19)12-17-11-15-6-3-8-20-15;/h2,4-5,10,15,17H,3,6-9,11-12H2,1H3,(H,18,19);1H
InChIKeyCQVYQGZYRVMSIN-UHFFFAOYSA-N
XLogP1.68
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 51.68
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

N-[2-(3-methylphenoxy)ethyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 119689704
2-(oxolan-2-ylmethylamino)-N-(2-phenoxyethyl)acetamide
CID 119684520
N-[(3-methylphenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 108994238
N-[2-(2-fluorophenoxy)ethyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119681187
N-(2-methoxyethyl)-2-[2-(3-methylphenoxy)ethylamino]acetamide
CID 54940682
N-[3-(2-methylpropoxy)phenyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 54815323
1-[4-[(3-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-(oxolan-2-ylmethylamino)ethanone
CID 46006639
N-[2-(3-methylphenoxy)ethyl]-2-(propan-2-ylamino)acetamide
CID 54940324
N-[(4-methylphenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119677338
N-(oxolan-2-ylmethyl)-2-(3-propoxyanilino)acetamide
CID 54825001
2-(3-tert-butylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]ethanamine
CID 7394073
2-(3-methylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 54810604

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenoxy)ethyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride?
The IUPAC name of N-[2-(3-methylphenoxy)ethyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride (CID 119689703) is N-[2-(3-methylphenoxy)ethyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride.
What is the SMILES notation for N-[2-(3-methylphenoxy)ethyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride?
The canonical SMILES for N-[2-(3-methylphenoxy)ethyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride is Cc1cccc(OCCNC(=O)CNCC2CCCO2)c1.Cl.
What is the InChIKey of N-[2-(3-methylphenoxy)ethyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride?
The InChIKey is CQVYQGZYRVMSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3.ClH/c1-13-4-2-5-14(10-13)21-9-7-18-16(19)12-17-11-15-6-3-8-20-15;/h2,4-5,10,15,17H,3,6-9,11-12H2,1H3,(H,18,19);1H.
What are the key properties of N-[2-(3-methylphenoxy)ethyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride?
N-[2-(3-methylphenoxy)ethyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride has a molecular weight of 328.84 g/mol, XLogP of 1.68, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenoxy)ethyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride is sourced from PubChem (CID 119689703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).