N-(3-chloro-4-propan-2-yloxyphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride

C14H22Cl2N2O3 — CID 75423665

IUPACN-(3-chloro-4-propan-2-yloxyphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
SMILESCOCCNCC(=O)Nc1ccc(OC(C)C)c(Cl)c1.Cl
InChIInChI=1S/C14H21ClN2O3.ClH/c1-10(2)20-13-5-4-11(8-12(13)15)17-14(18)9-16-6-7-19-3;/h4-5,8,10,16H,6-7,9H2,1-3H3,(H,17,18);1H
InChIKeyXTMFMZZFFCJZAB-UHFFFAOYSA-N
MW337.25 g/mol
LogP2.72
Rot. Bonds8

About N-(3-chloro-4-propan-2-yloxyphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride

N-(3-chloro-4-propan-2-yloxyphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride (PubChem CID 75423665) has the molecular formula C14H22Cl2N2O3 and a molecular weight of 337.25 g/mol. Its IUPAC name is N-(3-chloro-4-propan-2-yloxyphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-chloro-4-propan-2-yloxyphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
PubChem CID75423665
Molecular FormulaC14H22Cl2N2O3
Molecular Weight337.25 g/mol
Exact Mass336.10
IUPAC NameN-(3-chloro-4-propan-2-yloxyphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
SMILESCOCCNCC(=O)Nc1ccc(OC(C)C)c(Cl)c1.Cl
InChIInChI=1S/C14H21ClN2O3.ClH/c1-10(2)20-13-5-4-11(8-12(13)15)17-14(18)9-16-6-7-19-3;/h4-5,8,10,16H,6-7,9H2,1-3H3,(H,17,18);1H
InChIKeyXTMFMZZFFCJZAB-UHFFFAOYSA-N
XLogP2.72
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.25
LogP ≤ 52.72
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-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2-methoxyethylamino)acetamide
CID 78910804
N-(3-chloro-4-propoxyphenyl)-2-(2-methoxyethylamino)acetamide
CID 79281917
3-(3-chloro-4-propan-2-yloxyanilino)-3-oxopropanoic acid
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2-chloro-5-[[2-(2-methoxyethylamino)acetyl]amino]benzamide;hydrochloride
CID 119711591
2-chloro-5-[[2-(2-methoxyethylamino)acetyl]amino]benzamide
CID 79281641
2-(2-methoxyethylamino)-N-(2-propan-2-yloxyphenyl)acetamide;hydrochloride
CID 119714872
N-(3-bromo-4-methoxyphenyl)-2-(2-methoxyethylamino)acetamide
CID 79291207
N-(3-chloro-4-propan-2-yloxyphenyl)-4-(methylamino)butanamide
CID 60840814
2-(2-methoxyethylamino)-N-[3-(propan-2-yloxymethyl)phenyl]acetamide;hydrochloride
CID 119753968
N-(3-chloro-4-methoxyphenyl)-2-(2-methylpropylamino)acetamide
CID 108993256
2-(2-methoxyethylamino)-N-[3-(1-methoxyethyl)phenyl]acetamide;hydrochloride
CID 119768563
N-(3-chlorophenyl)-2-(2-methoxyethylamino)acetamide
CID 28565603

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-propan-2-yloxyphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride?
The IUPAC name of N-(3-chloro-4-propan-2-yloxyphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride (CID 75423665) is N-(3-chloro-4-propan-2-yloxyphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride.
What is the SMILES notation for N-(3-chloro-4-propan-2-yloxyphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride?
The canonical SMILES for N-(3-chloro-4-propan-2-yloxyphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride is COCCNCC(=O)Nc1ccc(OC(C)C)c(Cl)c1.Cl.
What is the InChIKey of N-(3-chloro-4-propan-2-yloxyphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride?
The InChIKey is XTMFMZZFFCJZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3.ClH/c1-10(2)20-13-5-4-11(8-12(13)15)17-14(18)9-16-6-7-19-3;/h4-5,8,10,16H,6-7,9H2,1-3H3,(H,17,18);1H.
What are the key properties of N-(3-chloro-4-propan-2-yloxyphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride?
N-(3-chloro-4-propan-2-yloxyphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride has a molecular weight of 337.25 g/mol, XLogP of 2.72, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-propan-2-yloxyphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride is sourced from PubChem (CID 75423665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).