N-(2-adamantyl)-4-amino-N-methylbenzamide

C18H24N2O — CID 60945227

IUPACN-(2-adamantyl)-4-amino-N-methylbenzamide
SMILESCN(C(=O)c1ccc(N)cc1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H24N2O/c1-20(18(21)13-2-4-16(19)5-3-13)17-14-7-11-6-12(9-14)10-15(17)8-11/h2-5,11-12,14-15,17H,6-10,19H2,1H3
InChIKeyBBJGCZGYFOFDGH-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.17
Rot. Bonds2

About N-(2-adamantyl)-4-amino-N-methylbenzamide

N-(2-adamantyl)-4-amino-N-methylbenzamide (PubChem CID 60945227) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-(2-adamantyl)-4-amino-N-methylbenzamide.

Molecular Properties

Compound NameN-(2-adamantyl)-4-amino-N-methylbenzamide
PubChem CID60945227
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-(2-adamantyl)-4-amino-N-methylbenzamide
SMILESCN(C(=O)c1ccc(N)cc1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H24N2O/c1-20(18(21)13-2-4-16(19)5-3-13)17-14-7-11-6-12(9-14)10-15(17)8-11/h2-5,11-12,14-15,17H,6-10,19H2,1H3
InChIKeyBBJGCZGYFOFDGH-UHFFFAOYSA-N
XLogP3.17
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-4-amino-N-methylbenzamide?
The IUPAC name of N-(2-adamantyl)-4-amino-N-methylbenzamide (CID 60945227) is N-(2-adamantyl)-4-amino-N-methylbenzamide.
What is the SMILES notation for N-(2-adamantyl)-4-amino-N-methylbenzamide?
The canonical SMILES for N-(2-adamantyl)-4-amino-N-methylbenzamide is CN(C(=O)c1ccc(N)cc1)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-adamantyl)-4-amino-N-methylbenzamide?
The InChIKey is BBJGCZGYFOFDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-20(18(21)13-2-4-16(19)5-3-13)17-14-7-11-6-12(9-14)10-15(17)8-11/h2-5,11-12,14-15,17H,6-10,19H2,1H3.
What are the key properties of N-(2-adamantyl)-4-amino-N-methylbenzamide?
N-(2-adamantyl)-4-amino-N-methylbenzamide has a molecular weight of 284.40 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-4-amino-N-methylbenzamide is sourced from PubChem (CID 60945227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).