N-(3-acetamido-5,7-dimethyl-1-adamantyl)acetamide

C16H26N2O2 — CID 2842499

IUPACN-(3-acetamido-5,7-dimethyl-1-adamantyl)acetamide
SMILESCC(=O)NC12CC3(C)CC(C)(C1)CC(NC(C)=O)(C3)C2
InChIInChI=1S/C16H26N2O2/c1-11(19)17-15-6-13(3)5-14(4,7-15)9-16(8-13,10-15)18-12(2)20/h5-10H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyMSQGNHPUFDAVHW-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.13
Rot. Bonds2

About N-(3-acetamido-5,7-dimethyl-1-adamantyl)acetamide

N-(3-acetamido-5,7-dimethyl-1-adamantyl)acetamide (PubChem CID 2842499) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-(3-acetamido-5,7-dimethyl-1-adamantyl)acetamide.

Molecular Properties

Compound NameN-(3-acetamido-5,7-dimethyl-1-adamantyl)acetamide
PubChem CID2842499
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-(3-acetamido-5,7-dimethyl-1-adamantyl)acetamide
SMILESCC(=O)NC12CC3(C)CC(C)(C1)CC(NC(C)=O)(C3)C2
InChIInChI=1S/C16H26N2O2/c1-11(19)17-15-6-13(3)5-14(4,7-15)9-16(8-13,10-15)18-12(2)20/h5-10H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyMSQGNHPUFDAVHW-UHFFFAOYSA-N
XLogP2.13
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-5,7-dimethyl-1-adamantyl)acetamide?
The IUPAC name of N-(3-acetamido-5,7-dimethyl-1-adamantyl)acetamide (CID 2842499) is N-(3-acetamido-5,7-dimethyl-1-adamantyl)acetamide.
What is the SMILES notation for N-(3-acetamido-5,7-dimethyl-1-adamantyl)acetamide?
The canonical SMILES for N-(3-acetamido-5,7-dimethyl-1-adamantyl)acetamide is CC(=O)NC12CC3(C)CC(C)(C1)CC(NC(C)=O)(C3)C2.
What is the InChIKey of N-(3-acetamido-5,7-dimethyl-1-adamantyl)acetamide?
The InChIKey is MSQGNHPUFDAVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-11(19)17-15-6-13(3)5-14(4,7-15)9-16(8-13,10-15)18-12(2)20/h5-10H2,1-4H3,(H,17,19)(H,18,20).
What are the key properties of N-(3-acetamido-5,7-dimethyl-1-adamantyl)acetamide?
N-(3-acetamido-5,7-dimethyl-1-adamantyl)acetamide has a molecular weight of 278.40 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-5,7-dimethyl-1-adamantyl)acetamide is sourced from PubChem (CID 2842499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).