3-(cyclohexanecarbonylamino)adamantane-1-carboxamide

C18H28N2O2 — CID 68618568

IUPAC3-(cyclohexanecarbonylamino)adamantane-1-carboxamide
SMILESNC(=O)C12CC3CC(CC(NC(=O)C4CCCCC4)(C3)C1)C2
InChIInChI=1S/C18H28N2O2/c19-16(22)17-7-12-6-13(8-17)10-18(9-12,11-17)20-15(21)14-4-2-1-3-5-14/h12-14H,1-11H2,(H2,19,22)(H,20,21)
InChIKeySGURZJLOTZLAGP-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.51
Rot. Bonds3

About 3-(cyclohexanecarbonylamino)adamantane-1-carboxamide

3-(cyclohexanecarbonylamino)adamantane-1-carboxamide (PubChem CID 68618568) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 3-(cyclohexanecarbonylamino)adamantane-1-carboxamide.

Molecular Properties

Compound Name3-(cyclohexanecarbonylamino)adamantane-1-carboxamide
PubChem CID68618568
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name3-(cyclohexanecarbonylamino)adamantane-1-carboxamide
SMILESNC(=O)C12CC3CC(CC(NC(=O)C4CCCCC4)(C3)C1)C2
InChIInChI=1S/C18H28N2O2/c19-16(22)17-7-12-6-13(8-17)10-18(9-12,11-17)20-15(21)14-4-2-1-3-5-14/h12-14H,1-11H2,(H2,19,22)(H,20,21)
InChIKeySGURZJLOTZLAGP-UHFFFAOYSA-N
XLogP2.51
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexanecarbonylamino)adamantane-1-carboxamide?
The IUPAC name of 3-(cyclohexanecarbonylamino)adamantane-1-carboxamide (CID 68618568) is 3-(cyclohexanecarbonylamino)adamantane-1-carboxamide.
What is the SMILES notation for 3-(cyclohexanecarbonylamino)adamantane-1-carboxamide?
The canonical SMILES for 3-(cyclohexanecarbonylamino)adamantane-1-carboxamide is NC(=O)C12CC3CC(CC(NC(=O)C4CCCCC4)(C3)C1)C2.
What is the InChIKey of 3-(cyclohexanecarbonylamino)adamantane-1-carboxamide?
The InChIKey is SGURZJLOTZLAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c19-16(22)17-7-12-6-13(8-17)10-18(9-12,11-17)20-15(21)14-4-2-1-3-5-14/h12-14H,1-11H2,(H2,19,22)(H,20,21).
What are the key properties of 3-(cyclohexanecarbonylamino)adamantane-1-carboxamide?
3-(cyclohexanecarbonylamino)adamantane-1-carboxamide has a molecular weight of 304.43 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexanecarbonylamino)adamantane-1-carboxamide is sourced from PubChem (CID 68618568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).