12-(naphthalen-2-ylcarbamoylamino)dodecanoic acid

C23H32N2O3 — CID 11069055

IUPAC12-(naphthalen-2-ylcarbamoylamino)dodecanoic acid
SMILESO=C(O)CCCCCCCCCCCNC(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C23H32N2O3/c26-22(27)14-8-6-4-2-1-3-5-7-11-17-24-23(28)25-21-16-15-19-12-9-10-13-20(19)18-21/h9-10,12-13,15-16,18H,1-8,11,14,17H2,(H,26,27)(H2,24,25,28)
InChIKeyCPQMVRFPMPSWOH-UHFFFAOYSA-N
MW384.52 g/mol
LogP5.95
Rot. Bonds13

About 12-(naphthalen-2-ylcarbamoylamino)dodecanoic acid

12-(naphthalen-2-ylcarbamoylamino)dodecanoic acid (PubChem CID 11069055) has the molecular formula C23H32N2O3 and a molecular weight of 384.52 g/mol. Its IUPAC name is 12-(naphthalen-2-ylcarbamoylamino)dodecanoic acid.

Molecular Properties

Compound Name12-(naphthalen-2-ylcarbamoylamino)dodecanoic acid
PubChem CID11069055
Molecular FormulaC23H32N2O3
Molecular Weight384.52 g/mol
Exact Mass384.24
IUPAC Name12-(naphthalen-2-ylcarbamoylamino)dodecanoic acid
SMILESO=C(O)CCCCCCCCCCCNC(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C23H32N2O3/c26-22(27)14-8-6-4-2-1-3-5-7-11-17-24-23(28)25-21-16-15-19-12-9-10-13-20(19)18-21/h9-10,12-13,15-16,18H,1-8,11,14,17H2,(H,26,27)(H2,24,25,28)
InChIKeyCPQMVRFPMPSWOH-UHFFFAOYSA-N
XLogP5.95
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.52
LogP ≤ 55.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 12-(naphthalen-2-ylcarbamoylamino)dodecanoic acid?
The IUPAC name of 12-(naphthalen-2-ylcarbamoylamino)dodecanoic acid (CID 11069055) is 12-(naphthalen-2-ylcarbamoylamino)dodecanoic acid.
What is the SMILES notation for 12-(naphthalen-2-ylcarbamoylamino)dodecanoic acid?
The canonical SMILES for 12-(naphthalen-2-ylcarbamoylamino)dodecanoic acid is O=C(O)CCCCCCCCCCCNC(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of 12-(naphthalen-2-ylcarbamoylamino)dodecanoic acid?
The InChIKey is CPQMVRFPMPSWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3/c26-22(27)14-8-6-4-2-1-3-5-7-11-17-24-23(28)25-21-16-15-19-12-9-10-13-20(19)18-21/h9-10,12-13,15-16,18H,1-8,11,14,17H2,(H,26,27)(H2,24,25,28).
What are the key properties of 12-(naphthalen-2-ylcarbamoylamino)dodecanoic acid?
12-(naphthalen-2-ylcarbamoylamino)dodecanoic acid has a molecular weight of 384.52 g/mol, XLogP of 5.95, 13 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(naphthalen-2-ylcarbamoylamino)dodecanoic acid is sourced from PubChem (CID 11069055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).