N-(1-adamantyl)-2-(2-amino-2-oxoethoxy)benzamide

C19H24N2O3 — CID 578415

IUPACN-(1-adamantyl)-2-(2-amino-2-oxoethoxy)benzamide
SMILESNC(=O)COc1ccccc1C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H24N2O3/c20-17(22)11-24-16-4-2-1-3-15(16)18(23)21-19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,12-14H,5-11H2,(H2,20,22)(H,21,23)
InChIKeyJLVBRBVKXMZYMK-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.25
Rot. Bonds5

About N-(1-adamantyl)-2-(2-amino-2-oxoethoxy)benzamide

N-(1-adamantyl)-2-(2-amino-2-oxoethoxy)benzamide (PubChem CID 578415) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is N-(1-adamantyl)-2-(2-amino-2-oxoethoxy)benzamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-(2-amino-2-oxoethoxy)benzamide
PubChem CID578415
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC NameN-(1-adamantyl)-2-(2-amino-2-oxoethoxy)benzamide
SMILESNC(=O)COc1ccccc1C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H24N2O3/c20-17(22)11-24-16-4-2-1-3-15(16)18(23)21-19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,12-14H,5-11H2,(H2,20,22)(H,21,23)
InChIKeyJLVBRBVKXMZYMK-UHFFFAOYSA-N
XLogP2.25
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-adamantyl)-2-(2-hydroxyphenoxy)acetamide
CID 78773695
N-(1-adamantyl)-2-(2-phenylphenoxy)acetamide
CID 7732550
[2-(1-adamantylamino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 7844599
N-(1-adamantyl)-2-(trifluoromethyl)benzamide
CID 3118948
[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 7854032
[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-(1-adamantylcarbamoyl)benzoate
CID 4213373
2-(2-amino-2-oxoethoxy)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide
CID 136518616
N-[2-(aminomethyl)cyclopentyl]-2-(2-amino-2-oxoethoxy)benzamide
CID 119604933
N-(1-adamantyl)-2-benzylsulfinylpyridine-3-carboxamide
CID 57230991
2-(2-amino-2-oxoethoxy)-N-butylbenzamide
CID 36711020
N-(1-adamantyl)-4-(2-aminophenoxy)butanamide
CID 84555980
(E)-N-(1-adamantyl)-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]prop-2-enamide
CID 36675680

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-(2-amino-2-oxoethoxy)benzamide?
The IUPAC name of N-(1-adamantyl)-2-(2-amino-2-oxoethoxy)benzamide (CID 578415) is N-(1-adamantyl)-2-(2-amino-2-oxoethoxy)benzamide.
What is the SMILES notation for N-(1-adamantyl)-2-(2-amino-2-oxoethoxy)benzamide?
The canonical SMILES for N-(1-adamantyl)-2-(2-amino-2-oxoethoxy)benzamide is NC(=O)COc1ccccc1C(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-2-(2-amino-2-oxoethoxy)benzamide?
The InChIKey is JLVBRBVKXMZYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c20-17(22)11-24-16-4-2-1-3-15(16)18(23)21-19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,12-14H,5-11H2,(H2,20,22)(H,21,23).
What are the key properties of N-(1-adamantyl)-2-(2-amino-2-oxoethoxy)benzamide?
N-(1-adamantyl)-2-(2-amino-2-oxoethoxy)benzamide has a molecular weight of 328.41 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-(2-amino-2-oxoethoxy)benzamide is sourced from PubChem (CID 578415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).