7-(1-adamantyl)heptanamide

C17H29NO — CID 173130136

IUPAC7-(1-adamantyl)heptanamide
SMILESNC(=O)CCCCCCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H29NO/c18-16(19)5-3-1-2-4-6-17-10-13-7-14(11-17)9-15(8-13)12-17/h13-15H,1-12H2,(H2,18,19)
InChIKeyWIHOFBWRPZUPRA-UHFFFAOYSA-N
MW263.42 g/mol
LogP4.03
Rot. Bonds7

About 7-(1-adamantyl)heptanamide

7-(1-adamantyl)heptanamide (PubChem CID 173130136) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 7-(1-adamantyl)heptanamide.

Molecular Properties

Compound Name7-(1-adamantyl)heptanamide
PubChem CID173130136
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name7-(1-adamantyl)heptanamide
SMILESNC(=O)CCCCCCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H29NO/c18-16(19)5-3-1-2-4-6-17-10-13-7-14(11-17)9-15(8-13)12-17/h13-15H,1-12H2,(H2,18,19)
InChIKeyWIHOFBWRPZUPRA-UHFFFAOYSA-N
XLogP4.03
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(1-adamantyl)heptanamide?
The IUPAC name of 7-(1-adamantyl)heptanamide (CID 173130136) is 7-(1-adamantyl)heptanamide.
What is the SMILES notation for 7-(1-adamantyl)heptanamide?
The canonical SMILES for 7-(1-adamantyl)heptanamide is NC(=O)CCCCCCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 7-(1-adamantyl)heptanamide?
The InChIKey is WIHOFBWRPZUPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c18-16(19)5-3-1-2-4-6-17-10-13-7-14(11-17)9-15(8-13)12-17/h13-15H,1-12H2,(H2,18,19).
What are the key properties of 7-(1-adamantyl)heptanamide?
7-(1-adamantyl)heptanamide has a molecular weight of 263.42 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-adamantyl)heptanamide is sourced from PubChem (CID 173130136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).