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

C18H29N3O2 — CID 100655411

IUPAC5-amino-2-(cyclooctylamino)-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1cc(N)ccc1NC1CCCCCCC1
InChIInChI=1S/C18H29N3O2/c1-23-12-11-20-18(22)16-13-14(19)9-10-17(16)21-15-7-5-3-2-4-6-8-15/h9-10,13,15,21H,2-8,11-12,19H2,1H3,(H,20,22)
InChIKeyDRLUALCHSLDKCS-UHFFFAOYSA-N
MW319.45 g/mol
LogP3.17
Rot. Bonds6

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

5-amino-2-(cyclooctylamino)-N-(2-methoxyethyl)benzamide (PubChem CID 100655411) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 5-amino-2-(cyclooctylamino)-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name5-amino-2-(cyclooctylamino)-N-(2-methoxyethyl)benzamide
PubChem CID100655411
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name5-amino-2-(cyclooctylamino)-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1cc(N)ccc1NC1CCCCCCC1
InChIInChI=1S/C18H29N3O2/c1-23-12-11-20-18(22)16-13-14(19)9-10-17(16)21-15-7-5-3-2-4-6-8-15/h9-10,13,15,21H,2-8,11-12,19H2,1H3,(H,20,22)
InChIKeyDRLUALCHSLDKCS-UHFFFAOYSA-N
XLogP3.17
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.17
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-(cyclooctylamino)-N-propan-2-ylbenzamide
CID 100655389
5-amino-2-(cyclooctylamino)-N-methylbenzamide
CID 100655350
5-amino-2-(ethylamino)-N-(2-methoxyethyl)benzamide
CID 100638026
5-amino-N-(2-methoxyethyl)-2-(2-methylpropylamino)benzamide
CID 100638798
5-amino-2-(cyclopropylamino)-N-methylbenzamide
CID 100639685
ethyl 5-amino-2-(cyclobutylamino)benzoate
CID 62413866
5-amino-N-(2-methoxyethyl)-2-(prop-2-enylamino)benzamide
CID 100639598
5-amino-2-(azepan-1-yl)-N-(2-methoxyethyl)benzamide
CID 100651536
5-amino-2-(4-methoxyanilino)-N-(2-methoxyethyl)benzamide
CID 100648665
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-bromo-N-(3-cyclohexyloxypropyl)benzamide
CID 115297279

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(cyclooctylamino)-N-(2-methoxyethyl)benzamide?
The IUPAC name of 5-amino-2-(cyclooctylamino)-N-(2-methoxyethyl)benzamide (CID 100655411) is 5-amino-2-(cyclooctylamino)-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 5-amino-2-(cyclooctylamino)-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 5-amino-2-(cyclooctylamino)-N-(2-methoxyethyl)benzamide is COCCNC(=O)c1cc(N)ccc1NC1CCCCCCC1.
What is the InChIKey of 5-amino-2-(cyclooctylamino)-N-(2-methoxyethyl)benzamide?
The InChIKey is DRLUALCHSLDKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-23-12-11-20-18(22)16-13-14(19)9-10-17(16)21-15-7-5-3-2-4-6-8-15/h9-10,13,15,21H,2-8,11-12,19H2,1H3,(H,20,22).
What are the key properties of 5-amino-2-(cyclooctylamino)-N-(2-methoxyethyl)benzamide?
5-amino-2-(cyclooctylamino)-N-(2-methoxyethyl)benzamide has a molecular weight of 319.45 g/mol, XLogP of 3.17, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(cyclooctylamino)-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 100655411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).