2-amino-2-(3-hydroxy-1-adamantyl)-N,N-bis(2-hydroxyethyl)acetamide

C16H28N2O4 — CID 164909551

IUPAC2-amino-2-(3-hydroxy-1-adamantyl)-N,N-bis(2-hydroxyethyl)acetamide
SMILESNC(C(=O)N(CCO)CCO)C12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C16H28N2O4/c17-13(14(21)18(1-3-19)2-4-20)15-6-11-5-12(7-15)9-16(22,8-11)10-15/h11-13,19-20,22H,1-10,17H2
InChIKeyDCXSYAGRVBTPII-UHFFFAOYSA-N
MW312.41 g/mol
LogP-0.54
Rot. Bonds6

About 2-amino-2-(3-hydroxy-1-adamantyl)-N,N-bis(2-hydroxyethyl)acetamide

2-amino-2-(3-hydroxy-1-adamantyl)-N,N-bis(2-hydroxyethyl)acetamide (PubChem CID 164909551) has the molecular formula C16H28N2O4 and a molecular weight of 312.41 g/mol. Its IUPAC name is 2-amino-2-(3-hydroxy-1-adamantyl)-N,N-bis(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-amino-2-(3-hydroxy-1-adamantyl)-N,N-bis(2-hydroxyethyl)acetamide
PubChem CID164909551
Molecular FormulaC16H28N2O4
Molecular Weight312.41 g/mol
Exact Mass312.20
IUPAC Name2-amino-2-(3-hydroxy-1-adamantyl)-N,N-bis(2-hydroxyethyl)acetamide
SMILESNC(C(=O)N(CCO)CCO)C12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C16H28N2O4/c17-13(14(21)18(1-3-19)2-4-20)15-6-11-5-12(7-15)9-16(22,8-11)10-15/h11-13,19-20,22H,1-10,17H2
InChIKeyDCXSYAGRVBTPII-UHFFFAOYSA-N
XLogP-0.54
TPSA107.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 5-0.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-2-(3-hydroxy-1-adamantyl)-1-pyrrolidin-1-ylethanone
CID 11173505
2-amino-2-(3-hydroxy-1-adamantyl)-1-(2-methylcyclopentyl)ethanone
CID 23596418
(2S)-2-amino-N-(2-cyclopropylethyl)-2-(3-hydroxy-1-adamantyl)acetamide
CID 70339285
2-[2-amino-2-(3-hydroxy-1-adamantyl)acetyl]cyclopentane-1-carboxamide
CID 23596409
(5S,7S)-3-[(1R)-1-aminoethyl]adamantan-1-ol
CID 23309248
(5S,7R)-3-hydroxyadamantane-1-carbohydrazide
CID 24721604
2-amino-2-(3-hydroxy-1-adamantyl)-1-(2-thia-4-azabicyclo[3.1.0]hexan-4-yl)ethanone
CID 23596419
N,N-bis(2-hydroxyethyl)adamantane-1-carboxamide
CID 60653107
3-(1-amino-1,2,2,2-tetradeuterioethyl)adamantan-1-ol
CID 57369169
(5S,7R)-3-pentan-3-yladamantan-1-ol
CID 10775431
2-amino-2-(3-hydroxy-1-adamantyl)-1-(6-methyl-2-azabicyclo[3.1.0]hexan-2-yl)ethanone
CID 126710006
(1S,3S,5S)-2-[(2S)-2-amino-2-(3-hydroxy-1-adamantyl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;hydrochloride
CID 175673320

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-hydroxy-1-adamantyl)-N,N-bis(2-hydroxyethyl)acetamide?
The IUPAC name of 2-amino-2-(3-hydroxy-1-adamantyl)-N,N-bis(2-hydroxyethyl)acetamide (CID 164909551) is 2-amino-2-(3-hydroxy-1-adamantyl)-N,N-bis(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-amino-2-(3-hydroxy-1-adamantyl)-N,N-bis(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-amino-2-(3-hydroxy-1-adamantyl)-N,N-bis(2-hydroxyethyl)acetamide is NC(C(=O)N(CCO)CCO)C12CC3CC(CC(O)(C3)C1)C2.
What is the InChIKey of 2-amino-2-(3-hydroxy-1-adamantyl)-N,N-bis(2-hydroxyethyl)acetamide?
The InChIKey is DCXSYAGRVBTPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O4/c17-13(14(21)18(1-3-19)2-4-20)15-6-11-5-12(7-15)9-16(22,8-11)10-15/h11-13,19-20,22H,1-10,17H2.
What are the key properties of 2-amino-2-(3-hydroxy-1-adamantyl)-N,N-bis(2-hydroxyethyl)acetamide?
2-amino-2-(3-hydroxy-1-adamantyl)-N,N-bis(2-hydroxyethyl)acetamide has a molecular weight of 312.41 g/mol, XLogP of -0.54, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3-hydroxy-1-adamantyl)-N,N-bis(2-hydroxyethyl)acetamide is sourced from PubChem (CID 164909551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).