3-(1-adamantylmethylcarbamoyl)naphthalene-2-carboxylic acid

C23H25NO3 — CID 10618720

IUPAC3-(1-adamantylmethylcarbamoyl)naphthalene-2-carboxylic acid
SMILESO=C(O)c1cc2ccccc2cc1C(=O)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H25NO3/c25-21(19-8-17-3-1-2-4-18(17)9-20(19)22(26)27)24-13-23-10-14-5-15(11-23)7-16(6-14)12-23/h1-4,8-9,14-16H,5-7,10-13H2,(H,24,25)(H,26,27)
InChIKeyPSPKANWULWVLMF-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.48
Rot. Bonds4

About 3-(1-adamantylmethylcarbamoyl)naphthalene-2-carboxylic acid

3-(1-adamantylmethylcarbamoyl)naphthalene-2-carboxylic acid (PubChem CID 10618720) has the molecular formula C23H25NO3 and a molecular weight of 363.46 g/mol. Its IUPAC name is 3-(1-adamantylmethylcarbamoyl)naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name3-(1-adamantylmethylcarbamoyl)naphthalene-2-carboxylic acid
PubChem CID10618720
Molecular FormulaC23H25NO3
Molecular Weight363.46 g/mol
Exact Mass363.18
IUPAC Name3-(1-adamantylmethylcarbamoyl)naphthalene-2-carboxylic acid
SMILESO=C(O)c1cc2ccccc2cc1C(=O)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H25NO3/c25-21(19-8-17-3-1-2-4-18(17)9-20(19)22(26)27)24-13-23-10-14-5-15(11-23)7-16(6-14)12-23/h1-4,8-9,14-16H,5-7,10-13H2,(H,24,25)(H,26,27)
InChIKeyPSPKANWULWVLMF-UHFFFAOYSA-N
XLogP4.48
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(1-adamantylmethylcarbamoyl)naphthalene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(1-adamantylmethylcarbamoyl)naphthalene-2-carboxylic acid?
The IUPAC name of 3-(1-adamantylmethylcarbamoyl)naphthalene-2-carboxylic acid (CID 10618720) is 3-(1-adamantylmethylcarbamoyl)naphthalene-2-carboxylic acid.
What is the SMILES notation for 3-(1-adamantylmethylcarbamoyl)naphthalene-2-carboxylic acid?
The canonical SMILES for 3-(1-adamantylmethylcarbamoyl)naphthalene-2-carboxylic acid is O=C(O)c1cc2ccccc2cc1C(=O)NCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 3-(1-adamantylmethylcarbamoyl)naphthalene-2-carboxylic acid?
The InChIKey is PSPKANWULWVLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO3/c25-21(19-8-17-3-1-2-4-18(17)9-20(19)22(26)27)24-13-23-10-14-5-15(11-23)7-16(6-14)12-23/h1-4,8-9,14-16H,5-7,10-13H2,(H,24,25)(H,26,27).
What are the key properties of 3-(1-adamantylmethylcarbamoyl)naphthalene-2-carboxylic acid?
3-(1-adamantylmethylcarbamoyl)naphthalene-2-carboxylic acid has a molecular weight of 363.46 g/mol, XLogP of 4.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-adamantylmethylcarbamoyl)naphthalene-2-carboxylic acid is sourced from PubChem (CID 10618720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).