N-(1-adamantyl)-N-(2,6-dimethylphenyl)formamide

C19H25NO — CID 89421114

IUPACN-(1-adamantyl)-N-(2,6-dimethylphenyl)formamide
SMILESCc1cccc(C)c1N(C=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H25NO/c1-13-4-3-5-14(2)18(13)20(12-21)19-9-15-6-16(10-19)8-17(7-15)11-19/h3-5,12,15-17H,6-11H2,1-2H3
InChIKeyQRMLPWUWWFQFCY-UHFFFAOYSA-N
MW283.41 g/mol
LogP4.24
Rot. Bonds3

About N-(1-adamantyl)-N-(2,6-dimethylphenyl)formamide

N-(1-adamantyl)-N-(2,6-dimethylphenyl)formamide (PubChem CID 89421114) has the molecular formula C19H25NO and a molecular weight of 283.41 g/mol. Its IUPAC name is N-(1-adamantyl)-N-(2,6-dimethylphenyl)formamide.

Molecular Properties

Compound NameN-(1-adamantyl)-N-(2,6-dimethylphenyl)formamide
PubChem CID89421114
Molecular FormulaC19H25NO
Molecular Weight283.41 g/mol
Exact Mass283.19
IUPAC NameN-(1-adamantyl)-N-(2,6-dimethylphenyl)formamide
SMILESCc1cccc(C)c1N(C=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H25NO/c1-13-4-3-5-14(2)18(13)20(12-21)19-9-15-6-16(10-19)8-17(7-15)11-19/h3-5,12,15-17H,6-11H2,1-2H3
InChIKeyQRMLPWUWWFQFCY-UHFFFAOYSA-N
XLogP4.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-N-(2,6-dimethylphenyl)formamide?
The IUPAC name of N-(1-adamantyl)-N-(2,6-dimethylphenyl)formamide (CID 89421114) is N-(1-adamantyl)-N-(2,6-dimethylphenyl)formamide.
What is the SMILES notation for N-(1-adamantyl)-N-(2,6-dimethylphenyl)formamide?
The canonical SMILES for N-(1-adamantyl)-N-(2,6-dimethylphenyl)formamide is Cc1cccc(C)c1N(C=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-N-(2,6-dimethylphenyl)formamide?
The InChIKey is QRMLPWUWWFQFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-13-4-3-5-14(2)18(13)20(12-21)19-9-15-6-16(10-19)8-17(7-15)11-19/h3-5,12,15-17H,6-11H2,1-2H3.
What are the key properties of N-(1-adamantyl)-N-(2,6-dimethylphenyl)formamide?
N-(1-adamantyl)-N-(2,6-dimethylphenyl)formamide has a molecular weight of 283.41 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-N-(2,6-dimethylphenyl)formamide is sourced from PubChem (CID 89421114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).