N-[2-[2-(2,6-dimethylphenoxy)ethylamino]-2-oxoethyl]adamantane-1-carboxamide

C23H32N2O3 — CID 55724914

IUPACN-[2-[2-(2,6-dimethylphenoxy)ethylamino]-2-oxoethyl]adamantane-1-carboxamide
SMILESCc1cccc(C)c1OCCNC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H32N2O3/c1-15-4-3-5-16(2)21(15)28-7-6-24-20(26)14-25-22(27)23-11-17-8-18(12-23)10-19(9-17)13-23/h3-5,17-19H,6-14H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyPSBWBKPFTSAYNE-UHFFFAOYSA-N
MW384.52 g/mol
LogP3.13
Rot. Bonds7

About N-[2-[2-(2,6-dimethylphenoxy)ethylamino]-2-oxoethyl]adamantane-1-carboxamide

N-[2-[2-(2,6-dimethylphenoxy)ethylamino]-2-oxoethyl]adamantane-1-carboxamide (PubChem CID 55724914) has the molecular formula C23H32N2O3 and a molecular weight of 384.52 g/mol. Its IUPAC name is N-[2-[2-(2,6-dimethylphenoxy)ethylamino]-2-oxoethyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(2,6-dimethylphenoxy)ethylamino]-2-oxoethyl]adamantane-1-carboxamide
PubChem CID55724914
Molecular FormulaC23H32N2O3
Molecular Weight384.52 g/mol
Exact Mass384.24
IUPAC NameN-[2-[2-(2,6-dimethylphenoxy)ethylamino]-2-oxoethyl]adamantane-1-carboxamide
SMILESCc1cccc(C)c1OCCNC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H32N2O3/c1-15-4-3-5-16(2)21(15)28-7-6-24-20(26)14-25-22(27)23-11-17-8-18(12-23)10-19(9-17)13-23/h3-5,17-19H,6-14H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyPSBWBKPFTSAYNE-UHFFFAOYSA-N
XLogP3.13
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2,6-dimethylphenoxy)ethylamino]-2-oxoethyl]adamantane-1-carboxamide?
The IUPAC name of N-[2-[2-(2,6-dimethylphenoxy)ethylamino]-2-oxoethyl]adamantane-1-carboxamide (CID 55724914) is N-[2-[2-(2,6-dimethylphenoxy)ethylamino]-2-oxoethyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[2-[2-(2,6-dimethylphenoxy)ethylamino]-2-oxoethyl]adamantane-1-carboxamide?
The canonical SMILES for N-[2-[2-(2,6-dimethylphenoxy)ethylamino]-2-oxoethyl]adamantane-1-carboxamide is Cc1cccc(C)c1OCCNC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[2-[2-(2,6-dimethylphenoxy)ethylamino]-2-oxoethyl]adamantane-1-carboxamide?
The InChIKey is PSBWBKPFTSAYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3/c1-15-4-3-5-16(2)21(15)28-7-6-24-20(26)14-25-22(27)23-11-17-8-18(12-23)10-19(9-17)13-23/h3-5,17-19H,6-14H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N-[2-[2-(2,6-dimethylphenoxy)ethylamino]-2-oxoethyl]adamantane-1-carboxamide?
N-[2-[2-(2,6-dimethylphenoxy)ethylamino]-2-oxoethyl]adamantane-1-carboxamide has a molecular weight of 384.52 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2,6-dimethylphenoxy)ethylamino]-2-oxoethyl]adamantane-1-carboxamide is sourced from PubChem (CID 55724914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).