3-(cyclopentanecarbonylamino)adamantane-1-carboxamide

C17H26N2O2 — CID 68618504

IUPAC3-(cyclopentanecarbonylamino)adamantane-1-carboxamide
SMILESNC(=O)C12CC3CC(CC(NC(=O)C4CCCC4)(C3)C1)C2
InChIInChI=1S/C17H26N2O2/c18-15(21)16-6-11-5-12(7-16)9-17(8-11,10-16)19-14(20)13-3-1-2-4-13/h11-13H,1-10H2,(H2,18,21)(H,19,20)
InChIKeyJSQOTJOWSOYIKF-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.12
Rot. Bonds3

About 3-(cyclopentanecarbonylamino)adamantane-1-carboxamide

3-(cyclopentanecarbonylamino)adamantane-1-carboxamide (PubChem CID 68618504) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-(cyclopentanecarbonylamino)adamantane-1-carboxamide.

Molecular Properties

Compound Name3-(cyclopentanecarbonylamino)adamantane-1-carboxamide
PubChem CID68618504
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-(cyclopentanecarbonylamino)adamantane-1-carboxamide
SMILESNC(=O)C12CC3CC(CC(NC(=O)C4CCCC4)(C3)C1)C2
InChIInChI=1S/C17H26N2O2/c18-15(21)16-6-11-5-12(7-16)9-17(8-11,10-16)19-14(20)13-3-1-2-4-13/h11-13H,1-10H2,(H2,18,21)(H,19,20)
InChIKeyJSQOTJOWSOYIKF-UHFFFAOYSA-N
XLogP2.12
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentanecarbonylamino)adamantane-1-carboxamide?
The IUPAC name of 3-(cyclopentanecarbonylamino)adamantane-1-carboxamide (CID 68618504) is 3-(cyclopentanecarbonylamino)adamantane-1-carboxamide.
What is the SMILES notation for 3-(cyclopentanecarbonylamino)adamantane-1-carboxamide?
The canonical SMILES for 3-(cyclopentanecarbonylamino)adamantane-1-carboxamide is NC(=O)C12CC3CC(CC(NC(=O)C4CCCC4)(C3)C1)C2.
What is the InChIKey of 3-(cyclopentanecarbonylamino)adamantane-1-carboxamide?
The InChIKey is JSQOTJOWSOYIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c18-15(21)16-6-11-5-12(7-16)9-17(8-11,10-16)19-14(20)13-3-1-2-4-13/h11-13H,1-10H2,(H2,18,21)(H,19,20).
What are the key properties of 3-(cyclopentanecarbonylamino)adamantane-1-carboxamide?
3-(cyclopentanecarbonylamino)adamantane-1-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentanecarbonylamino)adamantane-1-carboxamide is sourced from PubChem (CID 68618504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).