N-(4-ethylphenyl)-2-(4-methoxyanilino)acetamide;4-methoxyaniline;hydrochloride

C24H30ClN3O3 — CID 22693863

IUPACN-(4-ethylphenyl)-2-(4-methoxyanilino)acetamide;4-methoxyaniline;hydrochloride
SMILESCCc1ccc(NC(=O)CNc2ccc(OC)cc2)cc1.COc1ccc(N)cc1.Cl
InChIInChI=1S/C17H20N2O2.C7H9NO.ClH/c1-3-13-4-6-15(7-5-13)19-17(20)12-18-14-8-10-16(21-2)11-9-14;1-9-7-4-2-6(8)3-5-7;/h4-11,18H,3,12H2,1-2H3,(H,19,20);2-5H,8H2,1H3;1H
InChIKeyFKYLMMOVOIUYCG-UHFFFAOYSA-N
MW443.98 g/mol
LogP5.01
Rot. Bonds7

About N-(4-ethylphenyl)-2-(4-methoxyanilino)acetamide;4-methoxyaniline;hydrochloride

N-(4-ethylphenyl)-2-(4-methoxyanilino)acetamide;4-methoxyaniline;hydrochloride (PubChem CID 22693863) has the molecular formula C24H30ClN3O3 and a molecular weight of 443.98 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-(4-methoxyanilino)acetamide;4-methoxyaniline;hydrochloride.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-(4-methoxyanilino)acetamide;4-methoxyaniline;hydrochloride
PubChem CID22693863
Molecular FormulaC24H30ClN3O3
Molecular Weight443.98 g/mol
Exact Mass443.20
IUPAC NameN-(4-ethylphenyl)-2-(4-methoxyanilino)acetamide;4-methoxyaniline;hydrochloride
SMILESCCc1ccc(NC(=O)CNc2ccc(OC)cc2)cc1.COc1ccc(N)cc1.Cl
InChIInChI=1S/C17H20N2O2.C7H9NO.ClH/c1-3-13-4-6-15(7-5-13)19-17(20)12-18-14-8-10-16(21-2)11-9-14;1-9-7-4-2-6(8)3-5-7;/h4-11,18H,3,12H2,1-2H3,(H,19,20);2-5H,8H2,1H3;1H
InChIKeyFKYLMMOVOIUYCG-UHFFFAOYSA-N
XLogP5.01
TPSA85.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.98
LogP ≤ 55.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxyanilino)-N-phenylacetamide
CID 7636829
2-(4-aminophenoxy)-N-(4-ethylphenyl)acetamide
CID 39107615
N-(3,4-dimethoxyphenyl)-2-(4-ethylanilino)acetamide
CID 37465407
N-(4-ethylphenyl)-2-[2-(4-methoxyphenoxy)ethylamino]acetamide
CID 109005223
N-(4-acetylphenyl)-2-(4-ethylanilino)acetamide
CID 37465418
2-(4-aminophenyl)sulfanyl-N-(4-methoxyphenyl)acetamide
CID 3846730
2-(2-ethylanilino)-N-(4-methoxyphenyl)acetamide
CID 26439643
N-(4-methoxyphenyl)-2-[4-(2-phenoxyethoxy)anilino]acetamide
CID 54823074
N-[2-(4-methoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 112998708
2-(ethylamino)-N-(4-methoxyphenyl)acetamide
CID 2113294
N-[4-[acetyl(methyl)amino]phenyl]-2-(4-methoxyanilino)acetamide
CID 54812602
N-[3-[[2-(4-methoxyanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54833198

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-(4-methoxyanilino)acetamide;4-methoxyaniline;hydrochloride?
The IUPAC name of N-(4-ethylphenyl)-2-(4-methoxyanilino)acetamide;4-methoxyaniline;hydrochloride (CID 22693863) is N-(4-ethylphenyl)-2-(4-methoxyanilino)acetamide;4-methoxyaniline;hydrochloride.
What is the SMILES notation for N-(4-ethylphenyl)-2-(4-methoxyanilino)acetamide;4-methoxyaniline;hydrochloride?
The canonical SMILES for N-(4-ethylphenyl)-2-(4-methoxyanilino)acetamide;4-methoxyaniline;hydrochloride is CCc1ccc(NC(=O)CNc2ccc(OC)cc2)cc1.COc1ccc(N)cc1.Cl.
What is the InChIKey of N-(4-ethylphenyl)-2-(4-methoxyanilino)acetamide;4-methoxyaniline;hydrochloride?
The InChIKey is FKYLMMOVOIUYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2.C7H9NO.ClH/c1-3-13-4-6-15(7-5-13)19-17(20)12-18-14-8-10-16(21-2)11-9-14;1-9-7-4-2-6(8)3-5-7;/h4-11,18H,3,12H2,1-2H3,(H,19,20);2-5H,8H2,1H3;1H.
What are the key properties of N-(4-ethylphenyl)-2-(4-methoxyanilino)acetamide;4-methoxyaniline;hydrochloride?
N-(4-ethylphenyl)-2-(4-methoxyanilino)acetamide;4-methoxyaniline;hydrochloride has a molecular weight of 443.98 g/mol, XLogP of 5.01, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-(4-methoxyanilino)acetamide;4-methoxyaniline;hydrochloride is sourced from PubChem (CID 22693863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).