5-amino-2-(2,5-dimethylanilino)-N-(2-methoxyethyl)benzamide

C18H23N3O2 — CID 100643393

IUPAC5-amino-2-(2,5-dimethylanilino)-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1cc(N)ccc1Nc1cc(C)ccc1C
InChIInChI=1S/C18H23N3O2/c1-12-4-5-13(2)17(10-12)21-16-7-6-14(19)11-15(16)18(22)20-8-9-23-3/h4-7,10-11,21H,8-9,19H2,1-3H3,(H,20,22)
InChIKeyLNMLYYJHURXLNV-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.01
Rot. Bonds6

About 5-amino-2-(2,5-dimethylanilino)-N-(2-methoxyethyl)benzamide

5-amino-2-(2,5-dimethylanilino)-N-(2-methoxyethyl)benzamide (PubChem CID 100643393) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 5-amino-2-(2,5-dimethylanilino)-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name5-amino-2-(2,5-dimethylanilino)-N-(2-methoxyethyl)benzamide
PubChem CID100643393
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name5-amino-2-(2,5-dimethylanilino)-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1cc(N)ccc1Nc1cc(C)ccc1C
InChIInChI=1S/C18H23N3O2/c1-12-4-5-13(2)17(10-12)21-16-7-6-14(19)11-15(16)18(22)20-8-9-23-3/h4-7,10-11,21H,8-9,19H2,1-3H3,(H,20,22)
InChIKeyLNMLYYJHURXLNV-UHFFFAOYSA-N
XLogP3.01
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-(2,4-dichloroanilino)-N-(2-methoxyethyl)benzamide
CID 100647300
5-amino-2-(4-methoxyanilino)-N-(2-methoxyethyl)benzamide
CID 100648665
5-amino-2-(ethylamino)-N-(2-methoxyethyl)benzamide
CID 100638026
5-amino-2-(4-methylanilino)-N-propylbenzamide
CID 100642805
5-amino-N-(2-methoxyethyl)-2-(2-methylpropylamino)benzamide
CID 100638798
5-amino-N-(2-methoxyethyl)-2-(prop-2-enylamino)benzamide
CID 100639598
ethane;N-(2-methoxyethyl)-2,4-dimethylbenzamide
CID 178149105
5-amino-N-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]benzamide
CID 100648128
5-amino-2-(cyclooctylamino)-N-(2-methoxyethyl)benzamide
CID 100655411
5-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide;hydrochloride
CID 120618901
5-amino-2-(3,4-dimethylanilino)-N-propylbenzamide
CID 100643509
tert-butyl N-[2-(2-methoxyethylcarbamoyl)-4-methylphenyl]carbamate
CID 90291485

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2,5-dimethylanilino)-N-(2-methoxyethyl)benzamide?
The IUPAC name of 5-amino-2-(2,5-dimethylanilino)-N-(2-methoxyethyl)benzamide (CID 100643393) is 5-amino-2-(2,5-dimethylanilino)-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 5-amino-2-(2,5-dimethylanilino)-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 5-amino-2-(2,5-dimethylanilino)-N-(2-methoxyethyl)benzamide is COCCNC(=O)c1cc(N)ccc1Nc1cc(C)ccc1C.
What is the InChIKey of 5-amino-2-(2,5-dimethylanilino)-N-(2-methoxyethyl)benzamide?
The InChIKey is LNMLYYJHURXLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-12-4-5-13(2)17(10-12)21-16-7-6-14(19)11-15(16)18(22)20-8-9-23-3/h4-7,10-11,21H,8-9,19H2,1-3H3,(H,20,22).
What are the key properties of 5-amino-2-(2,5-dimethylanilino)-N-(2-methoxyethyl)benzamide?
5-amino-2-(2,5-dimethylanilino)-N-(2-methoxyethyl)benzamide has a molecular weight of 313.40 g/mol, XLogP of 3.01, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2,5-dimethylanilino)-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 100643393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).