5-amino-N-(2-methoxyethyl)-2-(prop-2-enylamino)benzamide

C13H19N3O2 — CID 100639598

IUPAC5-amino-N-(2-methoxyethyl)-2-(prop-2-enylamino)benzamide
SMILESC=CCNc1ccc(N)cc1C(=O)NCCOC
InChIInChI=1S/C13H19N3O2/c1-3-6-15-12-5-4-10(14)9-11(12)13(17)16-7-8-18-2/h3-5,9,15H,1,6-8,14H2,2H3,(H,16,17)
InChIKeyBOAPPPFZGTVEGB-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.24
Rot. Bonds7

About 5-amino-N-(2-methoxyethyl)-2-(prop-2-enylamino)benzamide

5-amino-N-(2-methoxyethyl)-2-(prop-2-enylamino)benzamide (PubChem CID 100639598) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 5-amino-N-(2-methoxyethyl)-2-(prop-2-enylamino)benzamide.

Molecular Properties

Compound Name5-amino-N-(2-methoxyethyl)-2-(prop-2-enylamino)benzamide
PubChem CID100639598
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name5-amino-N-(2-methoxyethyl)-2-(prop-2-enylamino)benzamide
SMILESC=CCNc1ccc(N)cc1C(=O)NCCOC
InChIInChI=1S/C13H19N3O2/c1-3-6-15-12-5-4-10(14)9-11(12)13(17)16-7-8-18-2/h3-5,9,15H,1,6-8,14H2,2H3,(H,16,17)
InChIKeyBOAPPPFZGTVEGB-UHFFFAOYSA-N
XLogP1.24
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.24
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-(ethylamino)-N-(2-methoxyethyl)benzamide
CID 100638026
5-amino-N-methyl-2-(prop-2-enylamino)benzamide
CID 100639501
5-amino-N-(2-methoxyethyl)-2-(2-methylpropylamino)benzamide
CID 100638798
5-amino-N-ethyl-2-(3-methoxypropylamino)benzamide
CID 100640478
5-amino-2-(2-methoxyethylamino)benzoic acid
CID 60988686
5-amino-2-(2,4-dichloroanilino)-N-(2-methoxyethyl)benzamide
CID 100647300
5-amino-2-(2,5-dimethylanilino)-N-(2-methoxyethyl)benzamide
CID 100643393
5-amino-2-(4-methoxyanilino)-N-(2-methoxyethyl)benzamide
CID 100648665
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-(2-methoxyethylamino)-N-(pyridin-3-ylmethyl)benzamide;ethene
CID 168952712
5-amino-2-(3-methoxypropylamino)-N-propan-2-ylbenzamide
CID 100640503

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-methoxyethyl)-2-(prop-2-enylamino)benzamide?
The IUPAC name of 5-amino-N-(2-methoxyethyl)-2-(prop-2-enylamino)benzamide (CID 100639598) is 5-amino-N-(2-methoxyethyl)-2-(prop-2-enylamino)benzamide.
What is the SMILES notation for 5-amino-N-(2-methoxyethyl)-2-(prop-2-enylamino)benzamide?
The canonical SMILES for 5-amino-N-(2-methoxyethyl)-2-(prop-2-enylamino)benzamide is C=CCNc1ccc(N)cc1C(=O)NCCOC.
What is the InChIKey of 5-amino-N-(2-methoxyethyl)-2-(prop-2-enylamino)benzamide?
The InChIKey is BOAPPPFZGTVEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-3-6-15-12-5-4-10(14)9-11(12)13(17)16-7-8-18-2/h3-5,9,15H,1,6-8,14H2,2H3,(H,16,17).
What are the key properties of 5-amino-N-(2-methoxyethyl)-2-(prop-2-enylamino)benzamide?
5-amino-N-(2-methoxyethyl)-2-(prop-2-enylamino)benzamide has a molecular weight of 249.31 g/mol, XLogP of 1.24, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-methoxyethyl)-2-(prop-2-enylamino)benzamide is sourced from PubChem (CID 100639598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).