2-[2-methoxy-4-[(2-methylpropylamino)methyl]phenoxy]-N-(2-methylphenyl)acetamide;hydrochloride

C21H29ClN2O3 — CID 2960401

IUPAC2-[2-methoxy-4-[(2-methylpropylamino)methyl]phenoxy]-N-(2-methylphenyl)acetamide;hydrochloride
SMILESCOc1cc(CNCC(C)C)ccc1OCC(=O)Nc1ccccc1C.Cl
InChIInChI=1S/C21H28N2O3.ClH/c1-15(2)12-22-13-17-9-10-19(20(11-17)25-4)26-14-21(24)23-18-8-6-5-7-16(18)3;/h5-11,15,22H,12-14H2,1-4H3,(H,23,24);1H
InChIKeyZIRQWHRSWMWHCO-UHFFFAOYSA-N
MW392.93 g/mol
LogP4.19
Rot. Bonds9

About 2-[2-methoxy-4-[(2-methylpropylamino)methyl]phenoxy]-N-(2-methylphenyl)acetamide;hydrochloride

2-[2-methoxy-4-[(2-methylpropylamino)methyl]phenoxy]-N-(2-methylphenyl)acetamide;hydrochloride (PubChem CID 2960401) has the molecular formula C21H29ClN2O3 and a molecular weight of 392.93 g/mol. Its IUPAC name is 2-[2-methoxy-4-[(2-methylpropylamino)methyl]phenoxy]-N-(2-methylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[2-methoxy-4-[(2-methylpropylamino)methyl]phenoxy]-N-(2-methylphenyl)acetamide;hydrochloride
PubChem CID2960401
Molecular FormulaC21H29ClN2O3
Molecular Weight392.93 g/mol
Exact Mass392.19
IUPAC Name2-[2-methoxy-4-[(2-methylpropylamino)methyl]phenoxy]-N-(2-methylphenyl)acetamide;hydrochloride
SMILESCOc1cc(CNCC(C)C)ccc1OCC(=O)Nc1ccccc1C.Cl
InChIInChI=1S/C21H28N2O3.ClH/c1-15(2)12-22-13-17-9-10-19(20(11-17)25-4)26-14-21(24)23-18-8-6-5-7-16(18)3;/h5-11,15,22H,12-14H2,1-4H3,(H,23,24);1H
InChIKeyZIRQWHRSWMWHCO-UHFFFAOYSA-N
XLogP4.19
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.93
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N-(2-methylphenyl)acetamide
CID 170891318
2-[2-methoxy-4-[(4-methylanilino)methyl]phenoxy]-N-(2-methylphenyl)acetamide
CID 126382451
3-[(3,4-dimethoxyphenyl)methylamino]-N-(2-methylphenyl)propanamide
CID 109028248
N-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 4719506
2-[4-(butylaminomethyl)-2-ethoxyphenoxy]-N-(2-methylphenyl)acetamide
CID 2983903
2-(3,4-dimethoxyphenyl)-N-(2-methylphenyl)acetamide
CID 835508
2-[4-(anilinomethyl)-2-methoxyphenoxy]-N-(2,4-dimethylphenyl)acetamide
CID 126382591
2-[4-[(5-chloro-2-methylanilino)methyl]-2-methoxyphenoxy]-N-phenylacetamide
CID 126264485
N-tert-butyl-2-[4-[[(2-hydroxy-2-phenylethyl)amino]methyl]-2-methoxyphenoxy]acetamide;hydrochloride
CID 17295542
2-[2-methoxy-4-[(3-methylbutylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 17210725
2-[4-[(2-hydroxyethylamino)methyl]-2-methoxyphenoxy]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 119134260
1-[2-methoxy-4-[(2-methylpropylamino)methyl]phenoxy]-2-methylpropan-2-ol
CID 63057656

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-[(2-methylpropylamino)methyl]phenoxy]-N-(2-methylphenyl)acetamide;hydrochloride?
The IUPAC name of 2-[2-methoxy-4-[(2-methylpropylamino)methyl]phenoxy]-N-(2-methylphenyl)acetamide;hydrochloride (CID 2960401) is 2-[2-methoxy-4-[(2-methylpropylamino)methyl]phenoxy]-N-(2-methylphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[2-methoxy-4-[(2-methylpropylamino)methyl]phenoxy]-N-(2-methylphenyl)acetamide;hydrochloride?
The canonical SMILES for 2-[2-methoxy-4-[(2-methylpropylamino)methyl]phenoxy]-N-(2-methylphenyl)acetamide;hydrochloride is COc1cc(CNCC(C)C)ccc1OCC(=O)Nc1ccccc1C.Cl.
What is the InChIKey of 2-[2-methoxy-4-[(2-methylpropylamino)methyl]phenoxy]-N-(2-methylphenyl)acetamide;hydrochloride?
The InChIKey is ZIRQWHRSWMWHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3.ClH/c1-15(2)12-22-13-17-9-10-19(20(11-17)25-4)26-14-21(24)23-18-8-6-5-7-16(18)3;/h5-11,15,22H,12-14H2,1-4H3,(H,23,24);1H.
What are the key properties of 2-[2-methoxy-4-[(2-methylpropylamino)methyl]phenoxy]-N-(2-methylphenyl)acetamide;hydrochloride?
2-[2-methoxy-4-[(2-methylpropylamino)methyl]phenoxy]-N-(2-methylphenyl)acetamide;hydrochloride has a molecular weight of 392.93 g/mol, XLogP of 4.19, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-[(2-methylpropylamino)methyl]phenoxy]-N-(2-methylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 2960401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).