N-(4-formylphenyl)adamantane-1-carboxamide

C18H21NO2 — CID 106912217

IUPACN-(4-formylphenyl)adamantane-1-carboxamide
SMILESO=Cc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C18H21NO2/c20-11-12-1-3-16(4-2-12)19-17(21)18-8-13-5-14(9-18)7-15(6-13)10-18/h1-4,11,13-15H,5-10H2,(H,19,21)
InChIKeyVGXJAKRAGCOCBP-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.65
Rot. Bonds3

About N-(4-formylphenyl)adamantane-1-carboxamide

N-(4-formylphenyl)adamantane-1-carboxamide (PubChem CID 106912217) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-(4-formylphenyl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(4-formylphenyl)adamantane-1-carboxamide
PubChem CID106912217
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC NameN-(4-formylphenyl)adamantane-1-carboxamide
SMILESO=Cc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C18H21NO2/c20-11-12-1-3-16(4-2-12)19-17(21)18-8-13-5-14(9-18)7-15(6-13)10-18/h1-4,11,13-15H,5-10H2,(H,19,21)
InChIKeyVGXJAKRAGCOCBP-UHFFFAOYSA-N
XLogP3.65
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-formamidophenyl)adamantane-1-carboxamide
CID 168653489
N-(4-acetylphenyl)adamantane-1-carboxamide
CID 2836424
N-(4-trimethylsilylphenyl)adamantane-1-carboxamide
CID 171577278
(3S,6R)-N-(4-methylphenyl)tricyclo[4.3.1.13,8]undecane-1-carboxamide
CID 762997
4-[[(3S,6R)-tricyclo[4.3.1.13,8]undecane-1-carbonyl]amino]benzoic acid
CID 6990096
N-[4-(butanoylamino)phenyl]adamantane-1-carboxamide
CID 54787349
N-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenyl]adamantane-1-carboxamide
CID 24684576
N-[4-(difluoromethylsulfonyl)phenyl]adamantane-1-carboxamide
CID 4880033
N-(3-hydroxyphenyl)adamantane-1-carboxamide
CID 4623893
N-[4-(tert-butylsulfamoyl)phenyl]adamantane-1-carboxamide
CID 54787422
N-(4-ethoxyphenyl)tricyclo[4.3.1.13,8]undecane-1-carboxamide
CID 4231601
N-(2,3-dihydro-1,4-benzodioxin-6-yl)adamantane-1-carboxamide
CID 2862065

Frequently Asked Questions

What is the IUPAC name of N-(4-formylphenyl)adamantane-1-carboxamide?
The IUPAC name of N-(4-formylphenyl)adamantane-1-carboxamide (CID 106912217) is N-(4-formylphenyl)adamantane-1-carboxamide.
What is the SMILES notation for N-(4-formylphenyl)adamantane-1-carboxamide?
The canonical SMILES for N-(4-formylphenyl)adamantane-1-carboxamide is O=Cc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of N-(4-formylphenyl)adamantane-1-carboxamide?
The InChIKey is VGXJAKRAGCOCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c20-11-12-1-3-16(4-2-12)19-17(21)18-8-13-5-14(9-18)7-15(6-13)10-18/h1-4,11,13-15H,5-10H2,(H,19,21).
What are the key properties of N-(4-formylphenyl)adamantane-1-carboxamide?
N-(4-formylphenyl)adamantane-1-carboxamide has a molecular weight of 283.37 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-formylphenyl)adamantane-1-carboxamide is sourced from PubChem (CID 106912217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).