3,5-diamino-N-cyclooctylbenzamide

C15H23N3O — CID 61092511

IUPAC3,5-diamino-N-cyclooctylbenzamide
SMILESNc1cc(N)cc(C(=O)NC2CCCCCCC2)c1
InChIInChI=1S/C15H23N3O/c16-12-8-11(9-13(17)10-12)15(19)18-14-6-4-2-1-3-5-7-14/h8-10,14H,1-7,16-17H2,(H,18,19)
InChIKeyDKKBAHDLCQTXSW-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.69
Rot. Bonds2

About 3,5-diamino-N-cyclooctylbenzamide

3,5-diamino-N-cyclooctylbenzamide (PubChem CID 61092511) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 3,5-diamino-N-cyclooctylbenzamide.

Molecular Properties

Compound Name3,5-diamino-N-cyclooctylbenzamide
PubChem CID61092511
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name3,5-diamino-N-cyclooctylbenzamide
SMILESNc1cc(N)cc(C(=O)NC2CCCCCCC2)c1
InChIInChI=1S/C15H23N3O/c16-12-8-11(9-13(17)10-12)15(19)18-14-6-4-2-1-3-5-7-14/h8-10,14H,1-7,16-17H2,(H,18,19)
InChIKeyDKKBAHDLCQTXSW-UHFFFAOYSA-N
XLogP2.69
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.69
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

3-amino-N-cyclohexyl-5-methylbenzamide
CID 113396098
3-amino-5-bromo-N-cyclopentylbenzamide
CID 75537164
4-amino-N-cyclohexylbenzamide;hydrochloride
CID 83814043
3,5-diamino-N-(1-methylpiperidin-4-yl)benzamide
CID 61094399
3-amino-4,5-dichloro-N-cyclooctylbenzamide
CID 61090105
3,5-diamino-N-(2-methylcyclohexyl)benzamide
CID 61090027
3,5-diamino-N-(3-methylcyclopentyl)benzamide
CID 114542578
2,6-dichloro-N-cyclohexylpyridine-4-carboxamide
CID 26719449
3,5-diamino-N-(2-cyclohexylethyl)benzamide
CID 61103497
4-amino-N-cyclohexyl-3-methylbenzamide
CID 16773559
4-bromo-N-cyclohexyl-3,5-difluorobenzamide
CID 172646662
N-cyclooctyl-3,5-dinitrobenzamide
CID 4130171

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-N-cyclooctylbenzamide?
The IUPAC name of 3,5-diamino-N-cyclooctylbenzamide (CID 61092511) is 3,5-diamino-N-cyclooctylbenzamide.
What is the SMILES notation for 3,5-diamino-N-cyclooctylbenzamide?
The canonical SMILES for 3,5-diamino-N-cyclooctylbenzamide is Nc1cc(N)cc(C(=O)NC2CCCCCCC2)c1.
What is the InChIKey of 3,5-diamino-N-cyclooctylbenzamide?
The InChIKey is DKKBAHDLCQTXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c16-12-8-11(9-13(17)10-12)15(19)18-14-6-4-2-1-3-5-7-14/h8-10,14H,1-7,16-17H2,(H,18,19).
What are the key properties of 3,5-diamino-N-cyclooctylbenzamide?
3,5-diamino-N-cyclooctylbenzamide has a molecular weight of 261.37 g/mol, XLogP of 2.69, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-N-cyclooctylbenzamide is sourced from PubChem (CID 61092511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).