N-cyclooctyl-4-(propylamino)benzamide

C18H28N2O — CID 62172072

IUPACN-cyclooctyl-4-(propylamino)benzamide
SMILESCCCNc1ccc(C(=O)NC2CCCCCCC2)cc1
InChIInChI=1S/C18H28N2O/c1-2-14-19-16-12-10-15(11-13-16)18(21)20-17-8-6-4-3-5-7-9-17/h10-13,17,19H,2-9,14H2,1H3,(H,20,21)
InChIKeyAKAJKQSTHGNWOJ-UHFFFAOYSA-N
MW288.44 g/mol
LogP4.35
Rot. Bonds5

About N-cyclooctyl-4-(propylamino)benzamide

N-cyclooctyl-4-(propylamino)benzamide (PubChem CID 62172072) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-cyclooctyl-4-(propylamino)benzamide.

Molecular Properties

Compound NameN-cyclooctyl-4-(propylamino)benzamide
PubChem CID62172072
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-cyclooctyl-4-(propylamino)benzamide
SMILESCCCNc1ccc(C(=O)NC2CCCCCCC2)cc1
InChIInChI=1S/C18H28N2O/c1-2-14-19-16-12-10-15(11-13-16)18(21)20-17-8-6-4-3-5-7-9-17/h10-13,17,19H,2-9,14H2,1H3,(H,20,21)
InChIKeyAKAJKQSTHGNWOJ-UHFFFAOYSA-N
XLogP4.35
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclobutyl-4-(propylamino)benzamide
CID 55067083
N-(3-methylcyclohexyl)-4-(propylamino)benzamide
CID 62169172
4-N-cyclopentyl-1-N-propylbenzene-1,4-dicarboxamide
CID 109042876
N-(3-methylcyclopentyl)-4-(propylamino)benzamide
CID 114540645
N-cyclopropyl-4-(pentylamino)benzamide
CID 43687480
N-cycloheptyl-4-(methylamino)benzamide
CID 62165627
N-cyclohexyl-4-(propanoylamino)benzamide
CID 977209
N-(2-methylcyclopentyl)-4-(propylamino)benzamide
CID 63279400
N-(2-cyclohexylethyl)-4-(propylamino)benzamide
CID 62180221
4-acetamido-N-cyclooctylbenzamide
CID 2990044
4-(cyclohexylcarbamoylamino)-N-propylbenzamide
CID 17180771
N-cyclohexyl-4-propoxybenzamide
CID 4938429

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-4-(propylamino)benzamide?
The IUPAC name of N-cyclooctyl-4-(propylamino)benzamide (CID 62172072) is N-cyclooctyl-4-(propylamino)benzamide.
What is the SMILES notation for N-cyclooctyl-4-(propylamino)benzamide?
The canonical SMILES for N-cyclooctyl-4-(propylamino)benzamide is CCCNc1ccc(C(=O)NC2CCCCCCC2)cc1.
What is the InChIKey of N-cyclooctyl-4-(propylamino)benzamide?
The InChIKey is AKAJKQSTHGNWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-2-14-19-16-12-10-15(11-13-16)18(21)20-17-8-6-4-3-5-7-9-17/h10-13,17,19H,2-9,14H2,1H3,(H,20,21).
What are the key properties of N-cyclooctyl-4-(propylamino)benzamide?
N-cyclooctyl-4-(propylamino)benzamide has a molecular weight of 288.44 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-4-(propylamino)benzamide is sourced from PubChem (CID 62172072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).