N-[4-[(3-chlorophenyl)methoxy]-2-methylphenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride

C19H24Cl2N2O3 — CID 119773673

IUPACN-[4-[(3-chlorophenyl)methoxy]-2-methylphenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
SMILESCOCCNCC(=O)Nc1ccc(OCc2cccc(Cl)c2)cc1C.Cl
InChIInChI=1S/C19H23ClN2O3.ClH/c1-14-10-17(25-13-15-4-3-5-16(20)11-15)6-7-18(14)22-19(23)12-21-8-9-24-2;/h3-7,10-11,21H,8-9,12-13H2,1-2H3,(H,22,23);1H
InChIKeyJKUMXBSYJGOANQ-UHFFFAOYSA-N
MW399.32 g/mol
LogP3.82
Rot. Bonds9

About N-[4-[(3-chlorophenyl)methoxy]-2-methylphenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride

N-[4-[(3-chlorophenyl)methoxy]-2-methylphenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride (PubChem CID 119773673) has the molecular formula C19H24Cl2N2O3 and a molecular weight of 399.32 g/mol. Its IUPAC name is N-[4-[(3-chlorophenyl)methoxy]-2-methylphenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[(3-chlorophenyl)methoxy]-2-methylphenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
PubChem CID119773673
Molecular FormulaC19H24Cl2N2O3
Molecular Weight399.32 g/mol
Exact Mass398.12
IUPAC NameN-[4-[(3-chlorophenyl)methoxy]-2-methylphenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
SMILESCOCCNCC(=O)Nc1ccc(OCc2cccc(Cl)c2)cc1C.Cl
InChIInChI=1S/C19H23ClN2O3.ClH/c1-14-10-17(25-13-15-4-3-5-16(20)11-15)6-7-18(14)22-19(23)12-21-8-9-24-2;/h3-7,10-11,21H,8-9,12-13H2,1-2H3,(H,22,23);1H
InChIKeyJKUMXBSYJGOANQ-UHFFFAOYSA-N
XLogP3.82
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.32
LogP ≤ 53.82
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-[4-[(3-chlorophenyl)methoxy]-2-methylphenyl]-4-(methylamino)butanamide
CID 119773656
N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 39438794
N-(3-chlorophenyl)-2-(2-methoxyethylamino)acetamide
CID 28565603
2-(2-methoxyethylamino)-N-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]acetamide;hydrochloride
CID 119773689
(2S)-2-amino-N-[4-[(3-chlorophenyl)methoxy]-2-methylphenyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119317790
2-[4-[[2-chloro-5-[(3-chlorophenyl)methoxy]benzoyl]amino]-3-methylphenyl]acetic acid
CID 24952548
2-amino-N-[4-[(3-chlorophenyl)methoxy]-2-methylphenyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120792081
2-(2-methoxyethylamino)-N-(4-methyl-2-phenylmethoxyphenyl)acetamide
CID 119726802
2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]-N-methylacetamide;hydrochloride
CID 139767883
5-[(3-chlorophenyl)methoxy]-2-methylbenzoic acid
CID 59760044
2-chloro-N-[2-methyl-4-[(4-methylphenyl)methoxy]phenyl]acetamide
CID 39431489
N-(5-chloro-2-methoxyphenyl)-2-(2-methoxyethylamino)acetamide
CID 78908383

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-chlorophenyl)methoxy]-2-methylphenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
The IUPAC name of N-[4-[(3-chlorophenyl)methoxy]-2-methylphenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride (CID 119773673) is N-[4-[(3-chlorophenyl)methoxy]-2-methylphenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride.
What is the SMILES notation for N-[4-[(3-chlorophenyl)methoxy]-2-methylphenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
The canonical SMILES for N-[4-[(3-chlorophenyl)methoxy]-2-methylphenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride is COCCNCC(=O)Nc1ccc(OCc2cccc(Cl)c2)cc1C.Cl.
What is the InChIKey of N-[4-[(3-chlorophenyl)methoxy]-2-methylphenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
The InChIKey is JKUMXBSYJGOANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3.ClH/c1-14-10-17(25-13-15-4-3-5-16(20)11-15)6-7-18(14)22-19(23)12-21-8-9-24-2;/h3-7,10-11,21H,8-9,12-13H2,1-2H3,(H,22,23);1H.
What are the key properties of N-[4-[(3-chlorophenyl)methoxy]-2-methylphenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
N-[4-[(3-chlorophenyl)methoxy]-2-methylphenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride has a molecular weight of 399.32 g/mol, XLogP of 3.82, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-chlorophenyl)methoxy]-2-methylphenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride is sourced from PubChem (CID 119773673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).