N-[(4-methoxyphenyl)methyl]acetamide;hydrochloride

C10H14ClNO2 — CID 139808929

IUPACN-[(4-methoxyphenyl)methyl]acetamide;hydrochloride
SMILESCOc1ccc(CNC(C)=O)cc1.Cl
InChIInChI=1S/C10H13NO2.ClH/c1-8(12)11-7-9-3-5-10(13-2)6-4-9;/h3-6H,7H2,1-2H3,(H,11,12);1H
InChIKeyOJSMDADILVRSHP-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.75
Rot. Bonds3

About N-[(4-methoxyphenyl)methyl]acetamide;hydrochloride

N-[(4-methoxyphenyl)methyl]acetamide;hydrochloride (PubChem CID 139808929) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]acetamide;hydrochloride
PubChem CID139808929
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC NameN-[(4-methoxyphenyl)methyl]acetamide;hydrochloride
SMILESCOc1ccc(CNC(C)=O)cc1.Cl
InChIInChI=1S/C10H13NO2.ClH/c1-8(12)11-7-9-3-5-10(13-2)6-4-9;/h3-6H,7H2,1-2H3,(H,11,12);1H
InChIKeyOJSMDADILVRSHP-UHFFFAOYSA-N
XLogP1.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(acetamidomethyl)phenyl] acetate
CID 15576450
2-(4-methoxyphenyl)ethyl 4-(acetamidomethyl)benzoate
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4-(acetamidomethyl)-N-[(6-methoxynaphthalen-2-yl)methyl]benzamide
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(E)-N-[(4-methoxyphenyl)methyl]-2-methylbut-2-enamide
CID 134086963
N-[(4-methoxyphenyl)methyl]-4-oxopentanamide
CID 60636923
N-[(4-methoxyphenyl)methyl]-2-sulfanylacetamide
CID 58957123
N'-[(4-methoxyphenyl)methyl]oxamide
CID 2243752
2-methoxy-N-[(4-methoxyphenyl)methyl]acetamide
CID 885776
2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide;hydrochloride
CID 142729709
N-[(4-ethenoxyphenyl)methyl]acetamide
CID 58445947
3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 898309
N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
CID 51072984

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]acetamide;hydrochloride?
The IUPAC name of N-[(4-methoxyphenyl)methyl]acetamide;hydrochloride (CID 139808929) is N-[(4-methoxyphenyl)methyl]acetamide;hydrochloride.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]acetamide;hydrochloride?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]acetamide;hydrochloride is COc1ccc(CNC(C)=O)cc1.Cl.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]acetamide;hydrochloride?
The InChIKey is OJSMDADILVRSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2.ClH/c1-8(12)11-7-9-3-5-10(13-2)6-4-9;/h3-6H,7H2,1-2H3,(H,11,12);1H.
What are the key properties of N-[(4-methoxyphenyl)methyl]acetamide;hydrochloride?
N-[(4-methoxyphenyl)methyl]acetamide;hydrochloride has a molecular weight of 215.68 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]acetamide;hydrochloride is sourced from PubChem (CID 139808929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).