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

C18H22N2O2 — CID 168653489

IUPACN-(4-formamidophenyl)adamantane-1-carboxamide
SMILESO=CNc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C18H22N2O2/c21-11-19-15-1-3-16(4-2-15)20-17(22)18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,11-14H,5-10H2,(H,19,21)(H,20,22)
InChIKeyAUTKOGRAJQKTMH-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.41
Rot. Bonds4

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

N-(4-formamidophenyl)adamantane-1-carboxamide (PubChem CID 168653489) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-(4-formamidophenyl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(4-formamidophenyl)adamantane-1-carboxamide
PubChem CID168653489
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-(4-formamidophenyl)adamantane-1-carboxamide
SMILESO=CNc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C18H22N2O2/c21-11-19-15-1-3-16(4-2-15)20-17(22)18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,11-14H,5-10H2,(H,19,21)(H,20,22)
InChIKeyAUTKOGRAJQKTMH-UHFFFAOYSA-N
XLogP3.41
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-formylphenyl)adamantane-1-carboxamide
CID 106912217
N-(4-trimethylsilylphenyl)adamantane-1-carboxamide
CID 171577278
N-(4-acetylphenyl)adamantane-1-carboxamide
CID 2836424
(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-(morpholine-4-carbonyl)phenyl]adamantane-1-carboxamide
CID 3152021
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-[4-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]phenyl]adamantane-1-carboxamide
CID 169344492

Frequently Asked Questions

What is the IUPAC name of N-(4-formamidophenyl)adamantane-1-carboxamide?
The IUPAC name of N-(4-formamidophenyl)adamantane-1-carboxamide (CID 168653489) is N-(4-formamidophenyl)adamantane-1-carboxamide.
What is the SMILES notation for N-(4-formamidophenyl)adamantane-1-carboxamide?
The canonical SMILES for N-(4-formamidophenyl)adamantane-1-carboxamide is O=CNc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of N-(4-formamidophenyl)adamantane-1-carboxamide?
The InChIKey is AUTKOGRAJQKTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c21-11-19-15-1-3-16(4-2-15)20-17(22)18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,11-14H,5-10H2,(H,19,21)(H,20,22).
What are the key properties of N-(4-formamidophenyl)adamantane-1-carboxamide?
N-(4-formamidophenyl)adamantane-1-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-formamidophenyl)adamantane-1-carboxamide is sourced from PubChem (CID 168653489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).