2-[[2-(1-adamantylamino)-2-oxoethyl]-ethylamino]-N-(2-methoxyphenyl)acetamide

C23H33N3O3 — CID 9029544

IUPAC2-[[2-(1-adamantylamino)-2-oxoethyl]-ethylamino]-N-(2-methoxyphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccccc1OC)CC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H33N3O3/c1-3-26(14-21(27)24-19-6-4-5-7-20(19)29-2)15-22(28)25-23-11-16-8-17(12-23)10-18(9-16)13-23/h4-7,16-18H,3,8-15H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyXVESFYNKBWVGFH-UHFFFAOYSA-N
MW399.54 g/mol
LogP3.04
Rot. Bonds8

About 2-[[2-(1-adamantylamino)-2-oxoethyl]-ethylamino]-N-(2-methoxyphenyl)acetamide

2-[[2-(1-adamantylamino)-2-oxoethyl]-ethylamino]-N-(2-methoxyphenyl)acetamide (PubChem CID 9029544) has the molecular formula C23H33N3O3 and a molecular weight of 399.54 g/mol. Its IUPAC name is 2-[[2-(1-adamantylamino)-2-oxoethyl]-ethylamino]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(1-adamantylamino)-2-oxoethyl]-ethylamino]-N-(2-methoxyphenyl)acetamide
PubChem CID9029544
Molecular FormulaC23H33N3O3
Molecular Weight399.54 g/mol
Exact Mass399.25
IUPAC Name2-[[2-(1-adamantylamino)-2-oxoethyl]-ethylamino]-N-(2-methoxyphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccccc1OC)CC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H33N3O3/c1-3-26(14-21(27)24-19-6-4-5-7-20(19)29-2)15-22(28)25-23-11-16-8-17(12-23)10-18(9-16)13-23/h4-7,16-18H,3,8-15H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyXVESFYNKBWVGFH-UHFFFAOYSA-N
XLogP3.04
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-ethylamino]-N-(2-methoxyphenyl)acetamide
CID 9030121
N-(1-adamantylmethyl)-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide
CID 9168519
N-(4-acetamidophenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 9029924
2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]-N-(2-phenylphenyl)acetamide
CID 4882753
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-ethylamino]-N-(2-methoxyphenyl)acetamide
CID 9029907
N-(1-adamantylcarbamoyl)-2-(2-methoxyanilino)acetamide
CID 9345285
N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 11928144
N-(3-acetylphenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 18078727
2-[bis(2-hydroxyethyl)amino]-N-(2-methoxyphenyl)acetamide
CID 18870897
2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]-N-(3-phenylpropyl)acetamide
CID 38120268
(2R)-2-(1-adamantylamino)-N-(2-methoxyphenyl)propanamide
CID 9358506
2-(N-ethylanilino)-N-(2-methoxyphenyl)acetamide
CID 17052689

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-adamantylamino)-2-oxoethyl]-ethylamino]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[[2-(1-adamantylamino)-2-oxoethyl]-ethylamino]-N-(2-methoxyphenyl)acetamide (CID 9029544) is 2-[[2-(1-adamantylamino)-2-oxoethyl]-ethylamino]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[[2-(1-adamantylamino)-2-oxoethyl]-ethylamino]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[[2-(1-adamantylamino)-2-oxoethyl]-ethylamino]-N-(2-methoxyphenyl)acetamide is CCN(CC(=O)Nc1ccccc1OC)CC(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-[[2-(1-adamantylamino)-2-oxoethyl]-ethylamino]-N-(2-methoxyphenyl)acetamide?
The InChIKey is XVESFYNKBWVGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O3/c1-3-26(14-21(27)24-19-6-4-5-7-20(19)29-2)15-22(28)25-23-11-16-8-17(12-23)10-18(9-16)13-23/h4-7,16-18H,3,8-15H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of 2-[[2-(1-adamantylamino)-2-oxoethyl]-ethylamino]-N-(2-methoxyphenyl)acetamide?
2-[[2-(1-adamantylamino)-2-oxoethyl]-ethylamino]-N-(2-methoxyphenyl)acetamide has a molecular weight of 399.54 g/mol, XLogP of 3.04, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-adamantylamino)-2-oxoethyl]-ethylamino]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 9029544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).