N-[[(2R)-oxolan-2-yl]methyl]adamantane-1-carboxamide

C16H25NO2 — CID 7079712

IUPACN-[[(2R)-oxolan-2-yl]methyl]adamantane-1-carboxamide
SMILESO=C(NC[C@H]1CCCO1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H25NO2/c18-15(17-10-14-2-1-3-19-14)16-7-11-4-12(8-16)6-13(5-11)9-16/h11-14H,1-10H2,(H,17,18)/t11?,12?,13?,14-,16?/m1/s1
InChIKeyZTLHMUKWSKSSEP-MHCOZEDOSA-N
MW263.38 g/mol
LogP2.50
Rot. Bonds3

About N-[[(2R)-oxolan-2-yl]methyl]adamantane-1-carboxamide

N-[[(2R)-oxolan-2-yl]methyl]adamantane-1-carboxamide (PubChem CID 7079712) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[[(2R)-oxolan-2-yl]methyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-oxolan-2-yl]methyl]adamantane-1-carboxamide
PubChem CID7079712
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-[[(2R)-oxolan-2-yl]methyl]adamantane-1-carboxamide
SMILESO=C(NC[C@H]1CCCO1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H25NO2/c18-15(17-10-14-2-1-3-19-14)16-7-11-4-12(8-16)6-13(5-11)9-16/h11-14H,1-10H2,(H,17,18)/t11?,12?,13?,14-,16?/m1/s1
InChIKeyZTLHMUKWSKSSEP-MHCOZEDOSA-N
XLogP2.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(oxolan-2-ylmethylcarbamothioyl)adamantane-1-carboxamide
CID 54787534
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] adamantane-1-carboxylate
CID 5213454
2-(1-adamantyl)-N-(oxolan-2-ylmethyl)acetamide
CID 6457745
N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]adamantane-1-carboxamide
CID 54787348
N'-(1-adamantyl)-N-(oxolan-2-ylmethyl)butanediamide
CID 3979942
1-amino-N-(oxolan-2-ylmethyl)cyclopentane-1-carboxamide
CID 60867408
2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 110696563
3-(1-adamantylcarbamoylamino)-N-(oxolan-2-ylmethyl)propanamide
CID 46798188
[(2S)-oxolan-2-yl]methylcarbamic acid
CID 69040354
1-cyano-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide
CID 80598955
N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]adamantane-1-carboxamide
CID 41412201
N-[[(2R)-oxolan-2-yl]methyl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 7437120

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]adamantane-1-carboxamide?
The IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]adamantane-1-carboxamide (CID 7079712) is N-[[(2R)-oxolan-2-yl]methyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[[(2R)-oxolan-2-yl]methyl]adamantane-1-carboxamide?
The canonical SMILES for N-[[(2R)-oxolan-2-yl]methyl]adamantane-1-carboxamide is O=C(NC[C@H]1CCCO1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[[(2R)-oxolan-2-yl]methyl]adamantane-1-carboxamide?
The InChIKey is ZTLHMUKWSKSSEP-MHCOZEDOSA-N. The full InChI is InChI=1S/C16H25NO2/c18-15(17-10-14-2-1-3-19-14)16-7-11-4-12(8-16)6-13(5-11)9-16/h11-14H,1-10H2,(H,17,18)/t11?,12?,13?,14-,16?/m1/s1.
What are the key properties of N-[[(2R)-oxolan-2-yl]methyl]adamantane-1-carboxamide?
N-[[(2R)-oxolan-2-yl]methyl]adamantane-1-carboxamide has a molecular weight of 263.38 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-oxolan-2-yl]methyl]adamantane-1-carboxamide is sourced from PubChem (CID 7079712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).