5-amino-2-(ethylamino)-N-(2-methoxyethyl)benzamide

C12H19N3O2 — CID 100638026

IUPAC5-amino-2-(ethylamino)-N-(2-methoxyethyl)benzamide
SMILESCCNc1ccc(N)cc1C(=O)NCCOC
InChIInChI=1S/C12H19N3O2/c1-3-14-11-5-4-9(13)8-10(11)12(16)15-6-7-17-2/h4-5,8,14H,3,6-7,13H2,1-2H3,(H,15,16)
InChIKeyNHXYYSLDHSRXTL-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.08
Rot. Bonds6

About 5-amino-2-(ethylamino)-N-(2-methoxyethyl)benzamide

5-amino-2-(ethylamino)-N-(2-methoxyethyl)benzamide (PubChem CID 100638026) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 5-amino-2-(ethylamino)-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name5-amino-2-(ethylamino)-N-(2-methoxyethyl)benzamide
PubChem CID100638026
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name5-amino-2-(ethylamino)-N-(2-methoxyethyl)benzamide
SMILESCCNc1ccc(N)cc1C(=O)NCCOC
InChIInChI=1S/C12H19N3O2/c1-3-14-11-5-4-9(13)8-10(11)12(16)15-6-7-17-2/h4-5,8,14H,3,6-7,13H2,1-2H3,(H,15,16)
InChIKeyNHXYYSLDHSRXTL-UHFFFAOYSA-N
XLogP1.08
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.08
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-N-(2-methoxyethyl)-2-(2-methylpropylamino)benzamide
CID 100638798
5-amino-N-(2-methoxyethyl)-2-(prop-2-enylamino)benzamide
CID 100639598
5-amino-N-ethyl-2-(3-methoxypropylamino)benzamide
CID 100640478
5-amino-2-(ethylamino)-N-methylbenzamide
CID 100637917
5-amino-2-(2-methoxyethylamino)benzoic acid
CID 60988686
5-amino-2-(2,5-dimethylanilino)-N-(2-methoxyethyl)benzamide
CID 100643393
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-(cyclooctylamino)-N-(2-methoxyethyl)benzamide
CID 100655411
propyl 5-amino-2-(ethylamino)benzoate
CID 100637868
ethyl 5-amino-2-(ethylamino)benzoate
CID 61313445
5-amino-2-(3-methoxypropylamino)-N-propan-2-ylbenzamide
CID 100640503

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(ethylamino)-N-(2-methoxyethyl)benzamide?
The IUPAC name of 5-amino-2-(ethylamino)-N-(2-methoxyethyl)benzamide (CID 100638026) is 5-amino-2-(ethylamino)-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 5-amino-2-(ethylamino)-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 5-amino-2-(ethylamino)-N-(2-methoxyethyl)benzamide is CCNc1ccc(N)cc1C(=O)NCCOC.
What is the InChIKey of 5-amino-2-(ethylamino)-N-(2-methoxyethyl)benzamide?
The InChIKey is NHXYYSLDHSRXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-3-14-11-5-4-9(13)8-10(11)12(16)15-6-7-17-2/h4-5,8,14H,3,6-7,13H2,1-2H3,(H,15,16).
What are the key properties of 5-amino-2-(ethylamino)-N-(2-methoxyethyl)benzamide?
5-amino-2-(ethylamino)-N-(2-methoxyethyl)benzamide has a molecular weight of 237.30 g/mol, XLogP of 1.08, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(ethylamino)-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 100638026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).