N,N-bis(2-hydroxyethyl)adamantane-1-carboxamide

C15H25NO3 — CID 60653107

IUPACN,N-bis(2-hydroxyethyl)adamantane-1-carboxamide
SMILESO=C(N(CCO)CCO)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H25NO3/c17-3-1-16(2-4-18)14(19)15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13,17-18H,1-10H2
InChIKeyDOEYCEWCMNZCOS-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.02
Rot. Bonds5

About N,N-bis(2-hydroxyethyl)adamantane-1-carboxamide

N,N-bis(2-hydroxyethyl)adamantane-1-carboxamide (PubChem CID 60653107) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is N,N-bis(2-hydroxyethyl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN,N-bis(2-hydroxyethyl)adamantane-1-carboxamide
PubChem CID60653107
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC NameN,N-bis(2-hydroxyethyl)adamantane-1-carboxamide
SMILESO=C(N(CCO)CCO)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H25NO3/c17-3-1-16(2-4-18)14(19)15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13,17-18H,1-10H2
InChIKeyDOEYCEWCMNZCOS-UHFFFAOYSA-N
XLogP1.02
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-bis(2-methylpropyl)adamantane-1-carboxamide
CID 5210533
3-(1-adamantyl)-1,1-bis(2-hydroxyethyl)urea
CID 61233632
N-(3-aminopropyl)-N-(2-methoxyethyl)adamantane-1-carboxamide
CID 63287228
N-ethyl-N-prop-2-ynyladamantane-1-carboxamide
CID 78971141
N-(3-amino-3-hydroxyiminopropyl)-N-ethyladamantane-1-carboxamide
CID 76910496
N-(3-aminopropyl)-N-cyclobutyladamantane-1-carboxamide
CID 102873863
2-amino-2-(3-hydroxy-1-adamantyl)-N,N-bis(2-hydroxyethyl)acetamide
CID 164909551
N-[4-[adamantane-1-carbonyl(1-adamantyl)amino]cyclohexyl]-N-(1-adamantyl)adamantane-1-carboxamide
CID 171722407
N-(azetidin-3-yl)-N-propyladamantane-1-carboxamide
CID 66214651
3-(1-adamantyl)-1-(2-hydroxyethyl)-1-methylurea
CID 54879606
N-[[4-[butyl(2-hydroxyethyl)carbamoyl]phenyl]methyl]adamantane-1-carboxamide
CID 78855618
1-amino-N-(2-hydroxyethyl)-N-propylcyclopropane-1-carboxamide
CID 65466619

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-hydroxyethyl)adamantane-1-carboxamide?
The IUPAC name of N,N-bis(2-hydroxyethyl)adamantane-1-carboxamide (CID 60653107) is N,N-bis(2-hydroxyethyl)adamantane-1-carboxamide.
What is the SMILES notation for N,N-bis(2-hydroxyethyl)adamantane-1-carboxamide?
The canonical SMILES for N,N-bis(2-hydroxyethyl)adamantane-1-carboxamide is O=C(N(CCO)CCO)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N,N-bis(2-hydroxyethyl)adamantane-1-carboxamide?
The InChIKey is DOEYCEWCMNZCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c17-3-1-16(2-4-18)14(19)15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13,17-18H,1-10H2.
What are the key properties of N,N-bis(2-hydroxyethyl)adamantane-1-carboxamide?
N,N-bis(2-hydroxyethyl)adamantane-1-carboxamide has a molecular weight of 267.37 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-hydroxyethyl)adamantane-1-carboxamide is sourced from PubChem (CID 60653107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).