N-[3-(oxolan-2-ylmethoxy)phenyl]adamantane-1-carboxamide

C22H29NO3 — CID 46580008

IUPACN-[3-(oxolan-2-ylmethoxy)phenyl]adamantane-1-carboxamide
SMILESO=C(Nc1cccc(OCC2CCCO2)c1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H29NO3/c24-21(22-11-15-7-16(12-22)9-17(8-15)13-22)23-18-3-1-4-19(10-18)26-14-20-5-2-6-25-20/h1,3-4,10,15-17,20H,2,5-9,11-14H2,(H,23,24)
InChIKeyRGDNUDVPKAWRQO-UHFFFAOYSA-N
MW355.48 g/mol
LogP4.40
Rot. Bonds5

About N-[3-(oxolan-2-ylmethoxy)phenyl]adamantane-1-carboxamide

N-[3-(oxolan-2-ylmethoxy)phenyl]adamantane-1-carboxamide (PubChem CID 46580008) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is N-[3-(oxolan-2-ylmethoxy)phenyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(oxolan-2-ylmethoxy)phenyl]adamantane-1-carboxamide
PubChem CID46580008
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC NameN-[3-(oxolan-2-ylmethoxy)phenyl]adamantane-1-carboxamide
SMILESO=C(Nc1cccc(OCC2CCCO2)c1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H29NO3/c24-21(22-11-15-7-16(12-22)9-17(8-15)13-22)23-18-3-1-4-19(10-18)26-14-20-5-2-6-25-20/h1,3-4,10,15-17,20H,2,5-9,11-14H2,(H,23,24)
InChIKeyRGDNUDVPKAWRQO-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]adamantane-1-carboxamide
CID 54787347
2-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 119284095
N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]adamantane-1-carboxamide
CID 54787348
4-(aminomethyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]oxane-4-carboxamide
CID 120922863
1-cyclopropyl-3-[3-(oxolan-2-ylmethoxy)phenyl]urea
CID 47162446
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 98600366
2-(ethylamino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54820938
1-(3-chlorophenyl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]urea
CID 41445181
1-(3-chlorophenyl)-3-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 41445173
N-[3-(oxolan-2-ylmethoxy)phenyl]thiophene-3-carboxamide
CID 46580011
N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]thiophene-2-carboxamide
CID 41444816
4-[[[3-(oxolan-2-ylmethoxy)phenyl]carbamoylamino]methyl]benzoic acid
CID 122075807

Frequently Asked Questions

What is the IUPAC name of N-[3-(oxolan-2-ylmethoxy)phenyl]adamantane-1-carboxamide?
The IUPAC name of N-[3-(oxolan-2-ylmethoxy)phenyl]adamantane-1-carboxamide (CID 46580008) is N-[3-(oxolan-2-ylmethoxy)phenyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[3-(oxolan-2-ylmethoxy)phenyl]adamantane-1-carboxamide?
The canonical SMILES for N-[3-(oxolan-2-ylmethoxy)phenyl]adamantane-1-carboxamide is O=C(Nc1cccc(OCC2CCCO2)c1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[3-(oxolan-2-ylmethoxy)phenyl]adamantane-1-carboxamide?
The InChIKey is RGDNUDVPKAWRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO3/c24-21(22-11-15-7-16(12-22)9-17(8-15)13-22)23-18-3-1-4-19(10-18)26-14-20-5-2-6-25-20/h1,3-4,10,15-17,20H,2,5-9,11-14H2,(H,23,24).
What are the key properties of N-[3-(oxolan-2-ylmethoxy)phenyl]adamantane-1-carboxamide?
N-[3-(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-[3-(oxolan-2-ylmethoxy)phenyl]adamantane-1-carboxamide is sourced from PubChem (CID 46580008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).