5-amino-2-(cyclooctylamino)-N-methylbenzamide

C16H25N3O — CID 100655350

IUPAC5-amino-2-(cyclooctylamino)-N-methylbenzamide
SMILESCNC(=O)c1cc(N)ccc1NC1CCCCCCC1
InChIInChI=1S/C16H25N3O/c1-18-16(20)14-11-12(17)9-10-15(14)19-13-7-5-3-2-4-6-8-13/h9-11,13,19H,2-8,17H2,1H3,(H,18,20)
InChIKeyUIEMYVGMHDOQJV-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.15
Rot. Bonds3

About 5-amino-2-(cyclooctylamino)-N-methylbenzamide

5-amino-2-(cyclooctylamino)-N-methylbenzamide (PubChem CID 100655350) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 5-amino-2-(cyclooctylamino)-N-methylbenzamide.

Molecular Properties

Compound Name5-amino-2-(cyclooctylamino)-N-methylbenzamide
PubChem CID100655350
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name5-amino-2-(cyclooctylamino)-N-methylbenzamide
SMILESCNC(=O)c1cc(N)ccc1NC1CCCCCCC1
InChIInChI=1S/C16H25N3O/c1-18-16(20)14-11-12(17)9-10-15(14)19-13-7-5-3-2-4-6-8-13/h9-11,13,19H,2-8,17H2,1H3,(H,18,20)
InChIKeyUIEMYVGMHDOQJV-UHFFFAOYSA-N
XLogP3.15
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-(cyclopropylamino)-N-methylbenzamide
CID 100639685
5-amino-2-(cyclooctylamino)-N-propan-2-ylbenzamide
CID 100655389
5-amino-2-(cyclooctylamino)-N-(2-methoxyethyl)benzamide
CID 100655411
ethyl 5-amino-2-(cyclobutylamino)benzoate
CID 62413866
3-(cycloheptylamino)-N,4-dimethylbenzamide
CID 43726864
5-amino-2-(ethylamino)-N-methylbenzamide
CID 100637917
5-amino-2-[(4-ethylcyclohexyl)amino]benzamide
CID 61468335
3-N-cyclooctyl-4-methylbenzene-1,3-diamine
CID 62590310
5-amino-N-methyl-2-[[(2R)-oxolan-2-yl]methylamino]benzamide
CID 100641777
methyl 5-amino-2-(oxan-4-ylamino)benzoate
CID 61305371
methyl 5-amino-2-[(1,1-dioxothian-4-yl)amino]benzoate
CID 61307479
methyl 5-amino-2-[(1,1-dioxothian-3-yl)amino]benzoate
CID 63924580

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(cyclooctylamino)-N-methylbenzamide?
The IUPAC name of 5-amino-2-(cyclooctylamino)-N-methylbenzamide (CID 100655350) is 5-amino-2-(cyclooctylamino)-N-methylbenzamide.
What is the SMILES notation for 5-amino-2-(cyclooctylamino)-N-methylbenzamide?
The canonical SMILES for 5-amino-2-(cyclooctylamino)-N-methylbenzamide is CNC(=O)c1cc(N)ccc1NC1CCCCCCC1.
What is the InChIKey of 5-amino-2-(cyclooctylamino)-N-methylbenzamide?
The InChIKey is UIEMYVGMHDOQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-18-16(20)14-11-12(17)9-10-15(14)19-13-7-5-3-2-4-6-8-13/h9-11,13,19H,2-8,17H2,1H3,(H,18,20).
What are the key properties of 5-amino-2-(cyclooctylamino)-N-methylbenzamide?
5-amino-2-(cyclooctylamino)-N-methylbenzamide has a molecular weight of 275.40 g/mol, XLogP of 3.15, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(cyclooctylamino)-N-methylbenzamide is sourced from PubChem (CID 100655350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).