N-(3-amino-1-adamantyl)benzamide

C17H22N2O — CID 67481027

IUPACN-(3-amino-1-adamantyl)benzamide
SMILESNC12CC3CC(C1)CC(NC(=O)c1ccccc1)(C3)C2
InChIInChI=1S/C17H22N2O/c18-16-7-12-6-13(8-16)10-17(9-12,11-16)19-15(20)14-4-2-1-3-5-14/h1-5,12-13H,6-11,18H2,(H,19,20)
InChIKeyYXKXOXWQRUKETK-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.47
Rot. Bonds2

About N-(3-amino-1-adamantyl)benzamide

N-(3-amino-1-adamantyl)benzamide (PubChem CID 67481027) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-(3-amino-1-adamantyl)benzamide.

Molecular Properties

Compound NameN-(3-amino-1-adamantyl)benzamide
PubChem CID67481027
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-(3-amino-1-adamantyl)benzamide
SMILESNC12CC3CC(C1)CC(NC(=O)c1ccccc1)(C3)C2
InChIInChI=1S/C17H22N2O/c18-16-7-12-6-13(8-16)10-17(9-12,11-16)19-15(20)14-4-2-1-3-5-14/h1-5,12-13H,6-11,18H2,(H,19,20)
InChIKeyYXKXOXWQRUKETK-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5S,7R)-3-amino-1-adamantyl]-6-phenylpyridine-3-carboxamide
CID 175969711
N-[(5S,7R)-3-amino-1-adamantyl]-4-pyridin-2-ylbenzamide;bis(2,2,2-trifluoroacetic acid)
CID 175969875
N-(3-amino-1-adamantyl)-6-fluoropyridine-2-carboxamide
CID 67480683
N-(3-amino-1-adamantyl)-1-methylpyrazole-3-carboxamide
CID 67481788
N-(3-amino-1-adamantyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 67480762
N-(3-hydroxy-1-adamantyl)-4-[(phenacylamino)methyl]benzamide
CID 68798765
N-(3-amino-1-adamantyl)-2,2-difluorocyclopropane-1-carboxamide
CID 68619900
N-(3-amino-1-adamantyl)-6-methylpyridine-2-carboxamide;6-(trifluoromethyl)pyridine-2-carboxylic acid
CID 162621415
N-[3-(naphthalene-1-carbonylamino)-1-adamantyl]naphthalene-1-carboxamide
CID 170205515
4-fluoro-N-[3-[(4-phosphanylbenzoyl)amino]-1-adamantyl]benzamide
CID 170245219
3-[(2-bromobenzoyl)amino]adamantane-1-carboxylic acid
CID 18873880
N-[1-(1-adamantylamino)-1-oxopropan-2-yl]benzamide
CID 146122763

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-1-adamantyl)benzamide?
The IUPAC name of N-(3-amino-1-adamantyl)benzamide (CID 67481027) is N-(3-amino-1-adamantyl)benzamide.
What is the SMILES notation for N-(3-amino-1-adamantyl)benzamide?
The canonical SMILES for N-(3-amino-1-adamantyl)benzamide is NC12CC3CC(C1)CC(NC(=O)c1ccccc1)(C3)C2.
What is the InChIKey of N-(3-amino-1-adamantyl)benzamide?
The InChIKey is YXKXOXWQRUKETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c18-16-7-12-6-13(8-16)10-17(9-12,11-16)19-15(20)14-4-2-1-3-5-14/h1-5,12-13H,6-11,18H2,(H,19,20).
What are the key properties of N-(3-amino-1-adamantyl)benzamide?
N-(3-amino-1-adamantyl)benzamide has a molecular weight of 270.38 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-1-adamantyl)benzamide is sourced from PubChem (CID 67481027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).