N-(2-adamantyl)-2-aminobenzamide

C17H22N2O — CID 61214981

IUPACN-(2-adamantyl)-2-aminobenzamide
SMILESNc1ccccc1C(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H22N2O/c18-15-4-2-1-3-14(15)17(20)19-16-12-6-10-5-11(8-12)9-13(16)7-10/h1-4,10-13,16H,5-9,18H2,(H,19,20)
InChIKeyJFDANBKQRWVMRF-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.82
Rot. Bonds2

About N-(2-adamantyl)-2-aminobenzamide

N-(2-adamantyl)-2-aminobenzamide (PubChem CID 61214981) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-(2-adamantyl)-2-aminobenzamide.

Molecular Properties

Compound NameN-(2-adamantyl)-2-aminobenzamide
PubChem CID61214981
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-(2-adamantyl)-2-aminobenzamide
SMILESNc1ccccc1C(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H22N2O/c18-15-4-2-1-3-14(15)17(20)19-16-12-6-10-5-11(8-12)9-13(16)7-10/h1-4,10-13,16H,5-9,18H2,(H,19,20)
InChIKeyJFDANBKQRWVMRF-UHFFFAOYSA-N
XLogP2.82
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 71624225
N-(2-adamantyl)-5-amino-2-bromobenzamide
CID 115297133
N-(2-adamantyl)-4-phenylbenzamide
CID 3608392
N-(2-adamantylcarbamothioyl)-2-fluorobenzamide
CID 969112
N-(2-adamantyl)-3-bromobenzamide
CID 771513
3-[(2-aminobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66032352
N-(2-adamantyl)thiophene-2-carboxamide
CID 875243
N-(2-adamantyl)-5-bromo-2-iodobenzamide
CID 103602440
2-amino-N-piperidin-3-ylbenzamide
CID 70159342
2-aminobenzoate
CID 5459842
2-amino-N-(3,3,5-trimethylcyclohexyl)benzamide
CID 2806551
N-(2-adamantyl)-3-amino-6-bromopyrazine-2-carboxamide
CID 121005122

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-2-aminobenzamide?
The IUPAC name of N-(2-adamantyl)-2-aminobenzamide (CID 61214981) is N-(2-adamantyl)-2-aminobenzamide.
What is the SMILES notation for N-(2-adamantyl)-2-aminobenzamide?
The canonical SMILES for N-(2-adamantyl)-2-aminobenzamide is Nc1ccccc1C(=O)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-adamantyl)-2-aminobenzamide?
The InChIKey is JFDANBKQRWVMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c18-15-4-2-1-3-14(15)17(20)19-16-12-6-10-5-11(8-12)9-13(16)7-10/h1-4,10-13,16H,5-9,18H2,(H,19,20).
What are the key properties of N-(2-adamantyl)-2-aminobenzamide?
N-(2-adamantyl)-2-aminobenzamide has a molecular weight of 270.38 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-2-aminobenzamide is sourced from PubChem (CID 61214981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).