N-(1-adamantyl)-2-[cyclohexyl(2-hydroxyethyl)amino]acetamide

C20H34N2O2 — CID 30842228

IUPACN-(1-adamantyl)-2-[cyclohexyl(2-hydroxyethyl)amino]acetamide
SMILESO=C(CN(CCO)C1CCCCC1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H34N2O2/c23-7-6-22(18-4-2-1-3-5-18)14-19(24)21-20-11-15-8-16(12-20)10-17(9-15)13-20/h15-18,23H,1-14H2,(H,21,24)
InChIKeyRHEAJPVCKUDLKA-UHFFFAOYSA-N
MW334.50 g/mol
LogP2.70
Rot. Bonds6

About N-(1-adamantyl)-2-[cyclohexyl(2-hydroxyethyl)amino]acetamide

N-(1-adamantyl)-2-[cyclohexyl(2-hydroxyethyl)amino]acetamide (PubChem CID 30842228) has the molecular formula C20H34N2O2 and a molecular weight of 334.50 g/mol. Its IUPAC name is N-(1-adamantyl)-2-[cyclohexyl(2-hydroxyethyl)amino]acetamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-[cyclohexyl(2-hydroxyethyl)amino]acetamide
PubChem CID30842228
Molecular FormulaC20H34N2O2
Molecular Weight334.50 g/mol
Exact Mass334.26
IUPAC NameN-(1-adamantyl)-2-[cyclohexyl(2-hydroxyethyl)amino]acetamide
SMILESO=C(CN(CCO)C1CCCCC1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H34N2O2/c23-7-6-22(18-4-2-1-3-5-18)14-19(24)21-20-11-15-8-16(12-20)10-17(9-15)13-20/h15-18,23H,1-14H2,(H,21,24)
InChIKeyRHEAJPVCKUDLKA-UHFFFAOYSA-N
XLogP2.70
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.50
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-[cyclohexyl(2-hydroxyethyl)amino]acetamide?
The IUPAC name of N-(1-adamantyl)-2-[cyclohexyl(2-hydroxyethyl)amino]acetamide (CID 30842228) is N-(1-adamantyl)-2-[cyclohexyl(2-hydroxyethyl)amino]acetamide.
What is the SMILES notation for N-(1-adamantyl)-2-[cyclohexyl(2-hydroxyethyl)amino]acetamide?
The canonical SMILES for N-(1-adamantyl)-2-[cyclohexyl(2-hydroxyethyl)amino]acetamide is O=C(CN(CCO)C1CCCCC1)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-2-[cyclohexyl(2-hydroxyethyl)amino]acetamide?
The InChIKey is RHEAJPVCKUDLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O2/c23-7-6-22(18-4-2-1-3-5-18)14-19(24)21-20-11-15-8-16(12-20)10-17(9-15)13-20/h15-18,23H,1-14H2,(H,21,24).
What are the key properties of N-(1-adamantyl)-2-[cyclohexyl(2-hydroxyethyl)amino]acetamide?
N-(1-adamantyl)-2-[cyclohexyl(2-hydroxyethyl)amino]acetamide has a molecular weight of 334.50 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-[cyclohexyl(2-hydroxyethyl)amino]acetamide is sourced from PubChem (CID 30842228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).