5-amino-2-(4-methoxyanilino)-N-(2-methoxyethyl)benzamide

C17H21N3O3 — CID 100648665

IUPAC5-amino-2-(4-methoxyanilino)-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1cc(N)ccc1Nc1ccc(OC)cc1
InChIInChI=1S/C17H21N3O3/c1-22-10-9-19-17(21)15-11-12(18)3-8-16(15)20-13-4-6-14(23-2)7-5-13/h3-8,11,20H,9-10,18H2,1-2H3,(H,19,21)
InChIKeyVSNFXZSQRFDZCG-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.40
Rot. Bonds7

About 5-amino-2-(4-methoxyanilino)-N-(2-methoxyethyl)benzamide

5-amino-2-(4-methoxyanilino)-N-(2-methoxyethyl)benzamide (PubChem CID 100648665) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 5-amino-2-(4-methoxyanilino)-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name5-amino-2-(4-methoxyanilino)-N-(2-methoxyethyl)benzamide
PubChem CID100648665
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name5-amino-2-(4-methoxyanilino)-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1cc(N)ccc1Nc1ccc(OC)cc1
InChIInChI=1S/C17H21N3O3/c1-22-10-9-19-17(21)15-11-12(18)3-8-16(15)20-13-4-6-14(23-2)7-5-13/h3-8,11,20H,9-10,18H2,1-2H3,(H,19,21)
InChIKeyVSNFXZSQRFDZCG-UHFFFAOYSA-N
XLogP2.40
TPSA85.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-(2,5-dimethylanilino)-N-(2-methoxyethyl)benzamide
CID 100643393
methyl 5-amino-2-(4-methoxyanilino)benzoate
CID 21438625
5-amino-2-(ethylamino)-N-(2-methoxyethyl)benzamide
CID 100638026
5-amino-N-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]benzamide
CID 100648128
5-amino-2-(4-methylanilino)-N-propylbenzamide
CID 100642805
5-amino-N-(2-methoxyethyl)-2-(2-methylpropylamino)benzamide
CID 100638798
5-amino-2-(4-chloroanilino)-N-propylbenzamide
CID 100645514
5-amino-N-(2-methoxyethyl)-2-(prop-2-enylamino)benzamide
CID 100639598
5-amino-2-(3,4-dimethylanilino)-N-propylbenzamide
CID 100643509
5-amino-2-(cyclooctylamino)-N-(2-methoxyethyl)benzamide
CID 100655411
2-anilino-N-(2-methoxyethyl)benzamide
CID 27659255

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(4-methoxyanilino)-N-(2-methoxyethyl)benzamide?
The IUPAC name of 5-amino-2-(4-methoxyanilino)-N-(2-methoxyethyl)benzamide (CID 100648665) is 5-amino-2-(4-methoxyanilino)-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 5-amino-2-(4-methoxyanilino)-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 5-amino-2-(4-methoxyanilino)-N-(2-methoxyethyl)benzamide is COCCNC(=O)c1cc(N)ccc1Nc1ccc(OC)cc1.
What is the InChIKey of 5-amino-2-(4-methoxyanilino)-N-(2-methoxyethyl)benzamide?
The InChIKey is VSNFXZSQRFDZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-22-10-9-19-17(21)15-11-12(18)3-8-16(15)20-13-4-6-14(23-2)7-5-13/h3-8,11,20H,9-10,18H2,1-2H3,(H,19,21).
What are the key properties of 5-amino-2-(4-methoxyanilino)-N-(2-methoxyethyl)benzamide?
5-amino-2-(4-methoxyanilino)-N-(2-methoxyethyl)benzamide has a molecular weight of 315.37 g/mol, XLogP of 2.40, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(4-methoxyanilino)-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 100648665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).