N-[2-(oxolan-2-ylmethoxy)phenyl]adamantane-1-carboxamide

C22H29NO3 — CID 54787347

IUPACN-[2-(oxolan-2-ylmethoxy)phenyl]adamantane-1-carboxamide
SMILESO=C(Nc1ccccc1OCC1CCCO1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H29NO3/c24-21(22-11-15-8-16(12-22)10-17(9-15)13-22)23-19-5-1-2-6-20(19)26-14-18-4-3-7-25-18/h1-2,5-6,15-18H,3-4,7-14H2,(H,23,24)
InChIKeyRMGZYEWTCIFGLL-UHFFFAOYSA-N
MW355.48 g/mol
LogP4.40
Rot. Bonds5

About N-[2-(oxolan-2-ylmethoxy)phenyl]adamantane-1-carboxamide

N-[2-(oxolan-2-ylmethoxy)phenyl]adamantane-1-carboxamide (PubChem CID 54787347) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is N-[2-(oxolan-2-ylmethoxy)phenyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(oxolan-2-ylmethoxy)phenyl]adamantane-1-carboxamide
PubChem CID54787347
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC NameN-[2-(oxolan-2-ylmethoxy)phenyl]adamantane-1-carboxamide
SMILESO=C(Nc1ccccc1OCC1CCCO1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H29NO3/c24-21(22-11-15-8-16(12-22)10-17(9-15)13-22)23-19-5-1-2-6-20(19)26-14-18-4-3-7-25-18/h1-2,5-6,15-18H,3-4,7-14H2,(H,23,24)
InChIKeyRMGZYEWTCIFGLL-UHFFFAOYSA-N
XLogP4.40
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]adamantane-1-carboxamide
CID 54787738
N-[3-(oxolan-2-ylmethoxy)phenyl]adamantane-1-carboxamide
CID 46580008
2-bromo-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 93083252
2-(diethylamino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54813459
N-(2-phenylmethoxyphenyl)adamantane-1-carboxamide
CID 10784818
4-chloro-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17170162
4-methyl-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 41386200
2-[cyclohexyl(methyl)amino]-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54817408
2-amino-N-[2-(oxan-2-ylmethoxy)phenyl]acetamide
CID 119302622
2-methoxy-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 41386282
N-[[2-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]thiophene-2-carboxamide
CID 17170314
2-(2-ethoxyanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54817509

Frequently Asked Questions

What is the IUPAC name of N-[2-(oxolan-2-ylmethoxy)phenyl]adamantane-1-carboxamide?
The IUPAC name of N-[2-(oxolan-2-ylmethoxy)phenyl]adamantane-1-carboxamide (CID 54787347) is N-[2-(oxolan-2-ylmethoxy)phenyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[2-(oxolan-2-ylmethoxy)phenyl]adamantane-1-carboxamide?
The canonical SMILES for N-[2-(oxolan-2-ylmethoxy)phenyl]adamantane-1-carboxamide is O=C(Nc1ccccc1OCC1CCCO1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[2-(oxolan-2-ylmethoxy)phenyl]adamantane-1-carboxamide?
The InChIKey is RMGZYEWTCIFGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO3/c24-21(22-11-15-8-16(12-22)10-17(9-15)13-22)23-19-5-1-2-6-20(19)26-14-18-4-3-7-25-18/h1-2,5-6,15-18H,3-4,7-14H2,(H,23,24).
What are the key properties of N-[2-(oxolan-2-ylmethoxy)phenyl]adamantane-1-carboxamide?
N-[2-(oxolan-2-ylmethoxy)phenyl]adamantane-1-carboxamide has a molecular weight of 355.48 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxolan-2-ylmethoxy)phenyl]adamantane-1-carboxamide is sourced from PubChem (CID 54787347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).