N-(2-adamantyl)-N-(2-hydroxyethyl)benzamide

C19H25NO2 — CID 139074714

IUPACN-(2-adamantyl)-N-(2-hydroxyethyl)benzamide
SMILESO=C(c1ccccc1)N(CCO)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C19H25NO2/c21-7-6-20(19(22)15-4-2-1-3-5-15)18-16-9-13-8-14(11-16)12-17(18)10-13/h1-5,13-14,16-18,21H,6-12H2
InChIKeyXKUDEAJTYAYRDA-UHFFFAOYSA-N
MW299.41 g/mol
LogP2.95
Rot. Bonds4

About N-(2-adamantyl)-N-(2-hydroxyethyl)benzamide

N-(2-adamantyl)-N-(2-hydroxyethyl)benzamide (PubChem CID 139074714) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is N-(2-adamantyl)-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound NameN-(2-adamantyl)-N-(2-hydroxyethyl)benzamide
PubChem CID139074714
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC NameN-(2-adamantyl)-N-(2-hydroxyethyl)benzamide
SMILESO=C(c1ccccc1)N(CCO)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C19H25NO2/c21-7-6-20(19(22)15-4-2-1-3-5-15)18-16-9-13-8-14(11-16)12-17(18)10-13/h1-5,13-14,16-18,21H,6-12H2
InChIKeyXKUDEAJTYAYRDA-UHFFFAOYSA-N
XLogP2.95
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-adamantyl(methyl)amino]ethanol
CID 175776564
1-N,4-N-dicyclohexyl-1-N,4-N-bis(2-hydroxyethyl)benzene-1,4-dicarboxamide
CID 3317185
N-(2-chloroethyl)-N-cyclopropylbenzamide
CID 63394612
N-[2-[cyclobutyl(2-hydroxyethyl)amino]-2-oxoethyl]benzamide
CID 102684785
N-[4-[benzoyl(chloromethyl)amino]cyclohexyl]-N-(chloromethyl)benzamide
CID 67251838
3-chloro-N-cyclopropyl-N-(2-hydroxyethyl)benzamide
CID 43576965
N-cyclobutyl-N-(2-hydroxyethyl)-2-phenylcyclopropane-1-carboxamide
CID 102684551
N-cyclopentyl-3-hydroxy-N-(2-hydroxyethyl)benzamide
CID 54994210
N-(2-hydroxyethyl)-N-(1-oxo-2,3,4,9-tetrahydrocarbazol-4-yl)benzamide
CID 10915025
N-(2-adamantyl)-4-amino-N-methylbenzamide
CID 60945227
N-cyclobutyl-4-ethyl-N-(2-hydroxyethyl)benzamide
CID 102684931
N-cyclopropyl-N-(2-hydroxyethyl)-1-phenylpyrazole-4-carboxamide
CID 43576931

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-N-(2-hydroxyethyl)benzamide?
The IUPAC name of N-(2-adamantyl)-N-(2-hydroxyethyl)benzamide (CID 139074714) is N-(2-adamantyl)-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for N-(2-adamantyl)-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for N-(2-adamantyl)-N-(2-hydroxyethyl)benzamide is O=C(c1ccccc1)N(CCO)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-adamantyl)-N-(2-hydroxyethyl)benzamide?
The InChIKey is XKUDEAJTYAYRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c21-7-6-20(19(22)15-4-2-1-3-5-15)18-16-9-13-8-14(11-16)12-17(18)10-13/h1-5,13-14,16-18,21H,6-12H2.
What are the key properties of N-(2-adamantyl)-N-(2-hydroxyethyl)benzamide?
N-(2-adamantyl)-N-(2-hydroxyethyl)benzamide has a molecular weight of 299.41 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 139074714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).