5-(2-adamantyl)-4-formamido-2-hydroxy-3-methylbenzamide

C19H24N2O3 — CID 174715207

IUPAC5-(2-adamantyl)-4-formamido-2-hydroxy-3-methylbenzamide
SMILESCc1c(O)c(C(N)=O)cc(C2C3CC4CC(C3)CC2C4)c1NC=O
InChIInChI=1S/C19H24N2O3/c1-9-17(21-8-22)14(7-15(18(9)23)19(20)24)16-12-3-10-2-11(5-12)6-13(16)4-10/h7-8,10-13,16,23H,2-6H2,1H3,(H2,20,24)(H,21,22)
InChIKeyKJIANFWNMKKTLS-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.91
Rot. Bonds4

About 5-(2-adamantyl)-4-formamido-2-hydroxy-3-methylbenzamide

5-(2-adamantyl)-4-formamido-2-hydroxy-3-methylbenzamide (PubChem CID 174715207) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 5-(2-adamantyl)-4-formamido-2-hydroxy-3-methylbenzamide.

Molecular Properties

Compound Name5-(2-adamantyl)-4-formamido-2-hydroxy-3-methylbenzamide
PubChem CID174715207
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name5-(2-adamantyl)-4-formamido-2-hydroxy-3-methylbenzamide
SMILESCc1c(O)c(C(N)=O)cc(C2C3CC4CC(C3)CC2C4)c1NC=O
InChIInChI=1S/C19H24N2O3/c1-9-17(21-8-22)14(7-15(18(9)23)19(20)24)16-12-3-10-2-11(5-12)6-13(16)4-10/h7-8,10-13,16,23H,2-6H2,1H3,(H2,20,24)(H,21,22)
InChIKeyKJIANFWNMKKTLS-UHFFFAOYSA-N
XLogP2.91
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-adamantyl)-4-formamido-2-hydroxy-3-methylbenzamide?
The IUPAC name of 5-(2-adamantyl)-4-formamido-2-hydroxy-3-methylbenzamide (CID 174715207) is 5-(2-adamantyl)-4-formamido-2-hydroxy-3-methylbenzamide.
What is the SMILES notation for 5-(2-adamantyl)-4-formamido-2-hydroxy-3-methylbenzamide?
The canonical SMILES for 5-(2-adamantyl)-4-formamido-2-hydroxy-3-methylbenzamide is Cc1c(O)c(C(N)=O)cc(C2C3CC4CC(C3)CC2C4)c1NC=O.
What is the InChIKey of 5-(2-adamantyl)-4-formamido-2-hydroxy-3-methylbenzamide?
The InChIKey is KJIANFWNMKKTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-9-17(21-8-22)14(7-15(18(9)23)19(20)24)16-12-3-10-2-11(5-12)6-13(16)4-10/h7-8,10-13,16,23H,2-6H2,1H3,(H2,20,24)(H,21,22).
What are the key properties of 5-(2-adamantyl)-4-formamido-2-hydroxy-3-methylbenzamide?
5-(2-adamantyl)-4-formamido-2-hydroxy-3-methylbenzamide has a molecular weight of 328.41 g/mol, XLogP of 2.91, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-adamantyl)-4-formamido-2-hydroxy-3-methylbenzamide is sourced from PubChem (CID 174715207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).