N-(1-adamantyl)-2-[N-(2-hydroxyethyl)anilino]acetamide

C20H28N2O2 — CID 658181

IUPACN-(1-adamantyl)-2-[N-(2-hydroxyethyl)anilino]acetamide
SMILESO=C(CN(CCO)c1ccccc1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H28N2O2/c23-7-6-22(18-4-2-1-3-5-18)14-19(24)21-20-11-15-8-16(12-20)10-17(9-15)13-20/h1-5,15-17,23H,6-14H2,(H,21,24)
InChIKeyOGTVCCOFAQXJEB-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.57
Rot. Bonds6

About N-(1-adamantyl)-2-[N-(2-hydroxyethyl)anilino]acetamide

N-(1-adamantyl)-2-[N-(2-hydroxyethyl)anilino]acetamide (PubChem CID 658181) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-(1-adamantyl)-2-[N-(2-hydroxyethyl)anilino]acetamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-[N-(2-hydroxyethyl)anilino]acetamide
PubChem CID658181
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC NameN-(1-adamantyl)-2-[N-(2-hydroxyethyl)anilino]acetamide
SMILESO=C(CN(CCO)c1ccccc1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H28N2O2/c23-7-6-22(18-4-2-1-3-5-18)14-19(24)21-20-11-15-8-16(12-20)10-17(9-15)13-20/h1-5,15-17,23H,6-14H2,(H,21,24)
InChIKeyOGTVCCOFAQXJEB-UHFFFAOYSA-N
XLogP2.57
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-adamantyl)-2-[benzyl(methyl)amino]acetamide
CID 3556406
N-ethyl-2-[N-(2-hydroxyethyl)anilino]acetamide
CID 110880306
N-(1-adamantyl)-4-oxo-4-[2-[4-oxo-4-(N-phenylanilino)butanoyl]hydrazinyl]butanamide
CID 3992740
N-(1-adamantyl)-2-[N-(benzenesulfonyl)-3,4-dichloroanilino]acetamide
CID 2876685
N-(1-adamantyl)-N'-methyl-N'-phenyloxamide
CID 108520987
2-[N-(2-hydroxyethyl)anilino]-N-(2-phenylethyl)acetamide
CID 110877202
N-(1-adamantyl)-2-(benzhydrylamino)acetamide
CID 7971178
N-(1-adamantyl)-2-(2-phenylphenoxy)acetamide
CID 7732550
N-[2-(1-adamantylamino)-2-oxoethyl]-3-carbamimidoyl-N-phenylbenzamide
CID 22716883
3-(1-adamantyl)-1,1-bis(2-hydroxyethyl)urea
CID 61233632
2-[[2-(1-adamantylamino)-2-oxoethyl]-ethylamino]-N-(2-methoxyphenyl)acetamide
CID 9029544
2-[N-(2-hydroxyethyl)anilino]-N-(2-nitrophenyl)acetamide
CID 110877217

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-[N-(2-hydroxyethyl)anilino]acetamide?
The IUPAC name of N-(1-adamantyl)-2-[N-(2-hydroxyethyl)anilino]acetamide (CID 658181) is N-(1-adamantyl)-2-[N-(2-hydroxyethyl)anilino]acetamide.
What is the SMILES notation for N-(1-adamantyl)-2-[N-(2-hydroxyethyl)anilino]acetamide?
The canonical SMILES for N-(1-adamantyl)-2-[N-(2-hydroxyethyl)anilino]acetamide is O=C(CN(CCO)c1ccccc1)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-2-[N-(2-hydroxyethyl)anilino]acetamide?
The InChIKey is OGTVCCOFAQXJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c23-7-6-22(18-4-2-1-3-5-18)14-19(24)21-20-11-15-8-16(12-20)10-17(9-15)13-20/h1-5,15-17,23H,6-14H2,(H,21,24).
What are the key properties of N-(1-adamantyl)-2-[N-(2-hydroxyethyl)anilino]acetamide?
N-(1-adamantyl)-2-[N-(2-hydroxyethyl)anilino]acetamide has a molecular weight of 328.46 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-[N-(2-hydroxyethyl)anilino]acetamide is sourced from PubChem (CID 658181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).