N-[4-(propylamino)cyclohexyl]cyclooctanecarboxamide

C18H34N2O — CID 65019205

IUPACN-[4-(propylamino)cyclohexyl]cyclooctanecarboxamide
SMILESCCCNC1CCC(NC(=O)C2CCCCCCC2)CC1
InChIInChI=1S/C18H34N2O/c1-2-14-19-16-10-12-17(13-11-16)20-18(21)15-8-6-4-3-5-7-9-15/h15-17,19H,2-14H2,1H3,(H,20,21)
InChIKeyVSYMNJXAIYWDKA-UHFFFAOYSA-N
MW294.48 g/mol
LogP3.77
Rot. Bonds5

About N-[4-(propylamino)cyclohexyl]cyclooctanecarboxamide

N-[4-(propylamino)cyclohexyl]cyclooctanecarboxamide (PubChem CID 65019205) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is N-[4-(propylamino)cyclohexyl]cyclooctanecarboxamide.

Molecular Properties

Compound NameN-[4-(propylamino)cyclohexyl]cyclooctanecarboxamide
PubChem CID65019205
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC NameN-[4-(propylamino)cyclohexyl]cyclooctanecarboxamide
SMILESCCCNC1CCC(NC(=O)C2CCCCCCC2)CC1
InChIInChI=1S/C18H34N2O/c1-2-14-19-16-10-12-17(13-11-16)20-18(21)15-8-6-4-3-5-7-9-15/h15-17,19H,2-14H2,1H3,(H,20,21)
InChIKeyVSYMNJXAIYWDKA-UHFFFAOYSA-N
XLogP3.77
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropylcycloheptanecarboxamide
CID 62778853
N-cyclopropylcyclohexanecarboxamide
CID 3412875
N-cycloheptylcycloheptanecarboxamide
CID 129091005
N-cyclodecylcyclododecanecarboxamide
CID 135182352
4-N-cyclopropyl-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144255
N-[4-(ethylamino)cyclohexyl]cyclopropanecarboxamide
CID 43653371
N-[4-(propylamino)cyclohexyl]oxolane-2-carboxamide
CID 43653441
N-propylcyclooctanecarboxamide
CID 65022755
1-N,4-N-dicyclohexylcyclohexane-1,4-dicarboxamide
CID 2982201
N-cyclopentylcyclobutanecarboxamide
CID 21158774
azane;N-propylcyclohexanamine
CID 19368218
N-propylcyclohexanamine;hydrochloride
CID 17370003

Frequently Asked Questions

What is the IUPAC name of N-[4-(propylamino)cyclohexyl]cyclooctanecarboxamide?
The IUPAC name of N-[4-(propylamino)cyclohexyl]cyclooctanecarboxamide (CID 65019205) is N-[4-(propylamino)cyclohexyl]cyclooctanecarboxamide.
What is the SMILES notation for N-[4-(propylamino)cyclohexyl]cyclooctanecarboxamide?
The canonical SMILES for N-[4-(propylamino)cyclohexyl]cyclooctanecarboxamide is CCCNC1CCC(NC(=O)C2CCCCCCC2)CC1.
What is the InChIKey of N-[4-(propylamino)cyclohexyl]cyclooctanecarboxamide?
The InChIKey is VSYMNJXAIYWDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-2-14-19-16-10-12-17(13-11-16)20-18(21)15-8-6-4-3-5-7-9-15/h15-17,19H,2-14H2,1H3,(H,20,21).
What are the key properties of N-[4-(propylamino)cyclohexyl]cyclooctanecarboxamide?
N-[4-(propylamino)cyclohexyl]cyclooctanecarboxamide has a molecular weight of 294.48 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(propylamino)cyclohexyl]cyclooctanecarboxamide is sourced from PubChem (CID 65019205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).