N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]adamantane-1-carboxamide

C20H32N2O2 — CID 18106489

IUPACN-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]adamantane-1-carboxamide
SMILESCC1CCC(NC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C20H32N2O2/c1-13-2-4-17(5-3-13)22-18(23)12-21-19(24)20-9-14-6-15(10-20)8-16(7-14)11-20/h13-17H,2-12H2,1H3,(H,21,24)(H,22,23)
InChIKeyYILXQHULDABXQG-UHFFFAOYSA-N
MW332.49 g/mol
LogP3.01
Rot. Bonds4

About N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]adamantane-1-carboxamide

N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]adamantane-1-carboxamide (PubChem CID 18106489) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]adamantane-1-carboxamide
PubChem CID18106489
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC NameN-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]adamantane-1-carboxamide
SMILESCC1CCC(NC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C20H32N2O2/c1-13-2-4-17(5-3-13)22-18(23)12-21-19(24)20-9-14-6-15(10-20)8-16(7-14)11-20/h13-17H,2-12H2,1H3,(H,21,24)(H,22,23)
InChIKeyYILXQHULDABXQG-UHFFFAOYSA-N
XLogP3.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]adamantane-1-carboxamide?
The IUPAC name of N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]adamantane-1-carboxamide (CID 18106489) is N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]adamantane-1-carboxamide?
The canonical SMILES for N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]adamantane-1-carboxamide is CC1CCC(NC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)CC1.
What is the InChIKey of N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]adamantane-1-carboxamide?
The InChIKey is YILXQHULDABXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-13-2-4-17(5-3-13)22-18(23)12-21-19(24)20-9-14-6-15(10-20)8-16(7-14)11-20/h13-17H,2-12H2,1H3,(H,21,24)(H,22,23).
What are the key properties of N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]adamantane-1-carboxamide?
N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]adamantane-1-carboxamide has a molecular weight of 332.49 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]adamantane-1-carboxamide is sourced from PubChem (CID 18106489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).