N-(1-adamantylmethyl)-2-methylbenzamide

C19H25NO — CID 8923919

IUPACN-(1-adamantylmethyl)-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H25NO/c1-13-4-2-3-5-17(13)18(21)20-12-19-9-14-6-15(10-19)8-16(7-14)11-19/h2-5,14-16H,6-12H2,1H3,(H,20,21)
InChIKeyPFIKYMCZQKTDKR-UHFFFAOYSA-N
MW283.41 g/mol
LogP3.94
Rot. Bonds3

About N-(1-adamantylmethyl)-2-methylbenzamide

N-(1-adamantylmethyl)-2-methylbenzamide (PubChem CID 8923919) has the molecular formula C19H25NO and a molecular weight of 283.41 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-2-methylbenzamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-2-methylbenzamide
PubChem CID8923919
Molecular FormulaC19H25NO
Molecular Weight283.41 g/mol
Exact Mass283.19
IUPAC NameN-(1-adamantylmethyl)-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H25NO/c1-13-4-2-3-5-17(13)18(21)20-12-19-9-14-6-15(10-19)8-16(7-14)11-19/h2-5,14-16H,6-12H2,1H3,(H,20,21)
InChIKeyPFIKYMCZQKTDKR-UHFFFAOYSA-N
XLogP3.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-2-methylbenzamide?
The IUPAC name of N-(1-adamantylmethyl)-2-methylbenzamide (CID 8923919) is N-(1-adamantylmethyl)-2-methylbenzamide.
What is the SMILES notation for N-(1-adamantylmethyl)-2-methylbenzamide?
The canonical SMILES for N-(1-adamantylmethyl)-2-methylbenzamide is Cc1ccccc1C(=O)NCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantylmethyl)-2-methylbenzamide?
The InChIKey is PFIKYMCZQKTDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-13-4-2-3-5-17(13)18(21)20-12-19-9-14-6-15(10-19)8-16(7-14)11-19/h2-5,14-16H,6-12H2,1H3,(H,20,21).
What are the key properties of N-(1-adamantylmethyl)-2-methylbenzamide?
N-(1-adamantylmethyl)-2-methylbenzamide has a molecular weight of 283.41 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-2-methylbenzamide is sourced from PubChem (CID 8923919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).