N-(3-hexoxyphenyl)adamantane-1-carboxamide

C23H33NO2 — CID 54787334

IUPACN-(3-hexoxyphenyl)adamantane-1-carboxamide
SMILESCCCCCCOc1cccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C23H33NO2/c1-2-3-4-5-9-26-21-8-6-7-20(13-21)24-22(25)23-14-17-10-18(15-23)12-19(11-17)16-23/h6-8,13,17-19H,2-5,9-12,14-16H2,1H3,(H,24,25)
InChIKeySJIDPRXRNBMTTP-UHFFFAOYSA-N
MW355.52 g/mol
LogP5.80
Rot. Bonds8

About N-(3-hexoxyphenyl)adamantane-1-carboxamide

N-(3-hexoxyphenyl)adamantane-1-carboxamide (PubChem CID 54787334) has the molecular formula C23H33NO2 and a molecular weight of 355.52 g/mol. Its IUPAC name is N-(3-hexoxyphenyl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(3-hexoxyphenyl)adamantane-1-carboxamide
PubChem CID54787334
Molecular FormulaC23H33NO2
Molecular Weight355.52 g/mol
Exact Mass355.25
IUPAC NameN-(3-hexoxyphenyl)adamantane-1-carboxamide
SMILESCCCCCCOc1cccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C23H33NO2/c1-2-3-4-5-9-26-21-8-6-7-20(13-21)24-22(25)23-14-17-10-18(15-23)12-19(11-17)16-23/h6-8,13,17-19H,2-5,9-12,14-16H2,1H3,(H,24,25)
InChIKeySJIDPRXRNBMTTP-UHFFFAOYSA-N
XLogP5.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.52
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[3-(2-methoxyethoxy)phenyl]carbamothioyl]adamantane-1-carboxamide
CID 54787737
(3-hexoxyphenyl)urea
CID 102387253
1-N,4-N-bis(3-hexoxyphenyl)benzene-1,4-dicarboxamide
CID 17094971
N,N'-bis(3-hexoxyphenyl)nonanediamide
CID 17094975
2-(ethylamino)-N-(3-hexoxyphenyl)acetamide
CID 54820702
N-[3-(oxolan-2-ylmethoxy)phenyl]adamantane-1-carboxamide
CID 46580008
4-butoxy-N-(3-hexoxyphenyl)benzamide
CID 17094812
N-(3-hydroxyphenyl)adamantane-1-carboxamide
CID 4623893
N-(3-heptoxyphenyl)-2-(3-oxopiperazin-2-yl)acetamide
CID 54794634
N-(3-heptoxyphenyl)-4-methylbenzamide
CID 17138098
N-(3-hexoxyphenyl)-2-(propan-2-ylamino)acetamide
CID 54817631
4-hexoxy-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17123562

Frequently Asked Questions

What is the IUPAC name of N-(3-hexoxyphenyl)adamantane-1-carboxamide?
The IUPAC name of N-(3-hexoxyphenyl)adamantane-1-carboxamide (CID 54787334) is N-(3-hexoxyphenyl)adamantane-1-carboxamide.
What is the SMILES notation for N-(3-hexoxyphenyl)adamantane-1-carboxamide?
The canonical SMILES for N-(3-hexoxyphenyl)adamantane-1-carboxamide is CCCCCCOc1cccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1.
What is the InChIKey of N-(3-hexoxyphenyl)adamantane-1-carboxamide?
The InChIKey is SJIDPRXRNBMTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NO2/c1-2-3-4-5-9-26-21-8-6-7-20(13-21)24-22(25)23-14-17-10-18(15-23)12-19(11-17)16-23/h6-8,13,17-19H,2-5,9-12,14-16H2,1H3,(H,24,25).
What are the key properties of N-(3-hexoxyphenyl)adamantane-1-carboxamide?
N-(3-hexoxyphenyl)adamantane-1-carboxamide has a molecular weight of 355.52 g/mol, XLogP of 5.80, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hexoxyphenyl)adamantane-1-carboxamide is sourced from PubChem (CID 54787334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).