N-(2-adamantyl)-2-[cyclopropyl(ethyl)amino]acetamide

C17H28N2O — CID 112818447

IUPACN-(2-adamantyl)-2-[cyclopropyl(ethyl)amino]acetamide
SMILESCCN(CC(=O)NC1C2CC3CC(C2)CC1C3)C1CC1
InChIInChI=1S/C17H28N2O/c1-2-19(15-3-4-15)10-16(20)18-17-13-6-11-5-12(8-13)9-14(17)7-11/h11-15,17H,2-10H2,1H3,(H,18,20)
InChIKeyPYHFNTOUEPXKJY-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.41
Rot. Bonds5

About N-(2-adamantyl)-2-[cyclopropyl(ethyl)amino]acetamide

N-(2-adamantyl)-2-[cyclopropyl(ethyl)amino]acetamide (PubChem CID 112818447) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-(2-adamantyl)-2-[cyclopropyl(ethyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-adamantyl)-2-[cyclopropyl(ethyl)amino]acetamide
PubChem CID112818447
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-(2-adamantyl)-2-[cyclopropyl(ethyl)amino]acetamide
SMILESCCN(CC(=O)NC1C2CC3CC(C2)CC1C3)C1CC1
InChIInChI=1S/C17H28N2O/c1-2-19(15-3-4-15)10-16(20)18-17-13-6-11-5-12(8-13)9-14(17)7-11/h11-15,17H,2-10H2,1H3,(H,18,20)
InChIKeyPYHFNTOUEPXKJY-UHFFFAOYSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-2-[cyclopropyl(ethyl)amino]acetamide?
The IUPAC name of N-(2-adamantyl)-2-[cyclopropyl(ethyl)amino]acetamide (CID 112818447) is N-(2-adamantyl)-2-[cyclopropyl(ethyl)amino]acetamide.
What is the SMILES notation for N-(2-adamantyl)-2-[cyclopropyl(ethyl)amino]acetamide?
The canonical SMILES for N-(2-adamantyl)-2-[cyclopropyl(ethyl)amino]acetamide is CCN(CC(=O)NC1C2CC3CC(C2)CC1C3)C1CC1.
What is the InChIKey of N-(2-adamantyl)-2-[cyclopropyl(ethyl)amino]acetamide?
The InChIKey is PYHFNTOUEPXKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-2-19(15-3-4-15)10-16(20)18-17-13-6-11-5-12(8-13)9-14(17)7-11/h11-15,17H,2-10H2,1H3,(H,18,20).
What are the key properties of N-(2-adamantyl)-2-[cyclopropyl(ethyl)amino]acetamide?
N-(2-adamantyl)-2-[cyclopropyl(ethyl)amino]acetamide has a molecular weight of 276.42 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-2-[cyclopropyl(ethyl)amino]acetamide is sourced from PubChem (CID 112818447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).