N-(2-acetamido-5-methylphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride

C14H22ClN3O3 — CID 119707722

IUPACN-(2-acetamido-5-methylphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
SMILESCOCCNCC(=O)Nc1cc(C)ccc1NC(C)=O.Cl
InChIInChI=1S/C14H21N3O3.ClH/c1-10-4-5-12(16-11(2)18)13(8-10)17-14(19)9-15-6-7-20-3;/h4-5,8,15H,6-7,9H2,1-3H3,(H,16,18)(H,17,19);1H
InChIKeyASDDYAZXTUPHNB-UHFFFAOYSA-N
MW315.80 g/mol
LogP1.55
Rot. Bonds7

About N-(2-acetamido-5-methylphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride

N-(2-acetamido-5-methylphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride (PubChem CID 119707722) has the molecular formula C14H22ClN3O3 and a molecular weight of 315.80 g/mol. Its IUPAC name is N-(2-acetamido-5-methylphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-acetamido-5-methylphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
PubChem CID119707722
Molecular FormulaC14H22ClN3O3
Molecular Weight315.80 g/mol
Exact Mass315.13
IUPAC NameN-(2-acetamido-5-methylphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
SMILESCOCCNCC(=O)Nc1cc(C)ccc1NC(C)=O.Cl
InChIInChI=1S/C14H21N3O3.ClH/c1-10-4-5-12(16-11(2)18)13(8-10)17-14(19)9-15-6-7-20-3;/h4-5,8,15H,6-7,9H2,1-3H3,(H,16,18)(H,17,19);1H
InChIKeyASDDYAZXTUPHNB-UHFFFAOYSA-N
XLogP1.55
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 51.55
H-Bond Donors ≤ 53
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-acetamido-5-bromophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119757138
2-(2-methoxyethylamino)-N-(2-methoxy-4-methylphenyl)acetamide
CID 79282634
2-(2-methoxyethylamino)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide;hydrochloride
CID 119746938
N-(2,4-difluorophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119673290
N-(5-acetamido-2-fluorophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119705055
2-(2-methoxyethylamino)-N-(4-methyl-2-phenylmethoxyphenyl)acetamide
CID 119726802
N-(3-methoxy-2,4-dimethylphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119728792
N-(3-acetamidophenyl)-2-(2-methoxyethylamino)acetamide
CID 54819836
5-hydroxy-2-[[2-(2-methoxyethylamino)acetyl]amino]benzoic acid
CID 79282540
N-(2,5-dimethoxyphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119674285
N-ethyl-4-[[2-(2-methoxyethylamino)acetyl]amino]-3-methylbenzamide;hydrochloride
CID 119714198
N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119751526

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamido-5-methylphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride?
The IUPAC name of N-(2-acetamido-5-methylphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride (CID 119707722) is N-(2-acetamido-5-methylphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride.
What is the SMILES notation for N-(2-acetamido-5-methylphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride?
The canonical SMILES for N-(2-acetamido-5-methylphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride is COCCNCC(=O)Nc1cc(C)ccc1NC(C)=O.Cl.
What is the InChIKey of N-(2-acetamido-5-methylphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride?
The InChIKey is ASDDYAZXTUPHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3.ClH/c1-10-4-5-12(16-11(2)18)13(8-10)17-14(19)9-15-6-7-20-3;/h4-5,8,15H,6-7,9H2,1-3H3,(H,16,18)(H,17,19);1H.
What are the key properties of N-(2-acetamido-5-methylphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride?
N-(2-acetamido-5-methylphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride has a molecular weight of 315.80 g/mol, XLogP of 1.55, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamido-5-methylphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride is sourced from PubChem (CID 119707722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).