N-[1-(cyclohexylamino)-1-oxopropan-2-yl]adamantane-1-carboxamide

C20H32N2O2 — CID 2882670

IUPACN-[1-(cyclohexylamino)-1-oxopropan-2-yl]adamantane-1-carboxamide
SMILESCC(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NC1CCCCC1
InChIInChI=1S/C20H32N2O2/c1-13(18(23)22-17-5-3-2-4-6-17)21-19(24)20-10-14-7-15(11-20)9-16(8-14)12-20/h13-17H,2-12H2,1H3,(H,21,24)(H,22,23)
InChIKeyCHDVAUSGZTXETM-UHFFFAOYSA-N
MW332.49 g/mol
LogP3.16
Rot. Bonds4

About N-[1-(cyclohexylamino)-1-oxopropan-2-yl]adamantane-1-carboxamide

N-[1-(cyclohexylamino)-1-oxopropan-2-yl]adamantane-1-carboxamide (PubChem CID 2882670) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is N-[1-(cyclohexylamino)-1-oxopropan-2-yl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclohexylamino)-1-oxopropan-2-yl]adamantane-1-carboxamide
PubChem CID2882670
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC NameN-[1-(cyclohexylamino)-1-oxopropan-2-yl]adamantane-1-carboxamide
SMILESCC(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NC1CCCCC1
InChIInChI=1S/C20H32N2O2/c1-13(18(23)22-17-5-3-2-4-6-17)21-19(24)20-10-14-7-15(11-20)9-16(8-14)12-20/h13-17H,2-12H2,1H3,(H,21,24)(H,22,23)
InChIKeyCHDVAUSGZTXETM-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexylamino)-1-oxopropan-2-yl]adamantane-1-carboxamide?
The IUPAC name of N-[1-(cyclohexylamino)-1-oxopropan-2-yl]adamantane-1-carboxamide (CID 2882670) is N-[1-(cyclohexylamino)-1-oxopropan-2-yl]adamantane-1-carboxamide.
What is the SMILES notation for N-[1-(cyclohexylamino)-1-oxopropan-2-yl]adamantane-1-carboxamide?
The canonical SMILES for N-[1-(cyclohexylamino)-1-oxopropan-2-yl]adamantane-1-carboxamide is CC(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NC1CCCCC1.
What is the InChIKey of N-[1-(cyclohexylamino)-1-oxopropan-2-yl]adamantane-1-carboxamide?
The InChIKey is CHDVAUSGZTXETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-13(18(23)22-17-5-3-2-4-6-17)21-19(24)20-10-14-7-15(11-20)9-16(8-14)12-20/h13-17H,2-12H2,1H3,(H,21,24)(H,22,23).
What are the key properties of N-[1-(cyclohexylamino)-1-oxopropan-2-yl]adamantane-1-carboxamide?
N-[1-(cyclohexylamino)-1-oxopropan-2-yl]adamantane-1-carboxamide has a molecular weight of 332.49 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexylamino)-1-oxopropan-2-yl]adamantane-1-carboxamide is sourced from PubChem (CID 2882670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).