N-[3-(cyclohexanecarbonylamino)naphthalen-2-yl]cyclohexanecarboxamide

C24H30N2O2 — CID 4181428

IUPACN-[3-(cyclohexanecarbonylamino)naphthalen-2-yl]cyclohexanecarboxamide
SMILESO=C(Nc1cc2ccccc2cc1NC(=O)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C24H30N2O2/c27-23(17-9-3-1-4-10-17)25-21-15-19-13-7-8-14-20(19)16-22(21)26-24(28)18-11-5-2-6-12-18/h7-8,13-18H,1-6,9-12H2,(H,25,27)(H,26,28)
InChIKeyOCAOUSUVHVDTOK-UHFFFAOYSA-N
MW378.52 g/mol
LogP5.88
Rot. Bonds4

About N-[3-(cyclohexanecarbonylamino)naphthalen-2-yl]cyclohexanecarboxamide

N-[3-(cyclohexanecarbonylamino)naphthalen-2-yl]cyclohexanecarboxamide (PubChem CID 4181428) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-[3-(cyclohexanecarbonylamino)naphthalen-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[3-(cyclohexanecarbonylamino)naphthalen-2-yl]cyclohexanecarboxamide
PubChem CID4181428
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC NameN-[3-(cyclohexanecarbonylamino)naphthalen-2-yl]cyclohexanecarboxamide
SMILESO=C(Nc1cc2ccccc2cc1NC(=O)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C24H30N2O2/c27-23(17-9-3-1-4-10-17)25-21-15-19-13-7-8-14-20(19)16-22(21)26-24(28)18-11-5-2-6-12-18/h7-8,13-18H,1-6,9-12H2,(H,25,27)(H,26,28)
InChIKeyOCAOUSUVHVDTOK-UHFFFAOYSA-N
XLogP5.88
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.52
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclohexanecarbonylamino)naphthalen-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[3-(cyclohexanecarbonylamino)naphthalen-2-yl]cyclohexanecarboxamide (CID 4181428) is N-[3-(cyclohexanecarbonylamino)naphthalen-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[3-(cyclohexanecarbonylamino)naphthalen-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[3-(cyclohexanecarbonylamino)naphthalen-2-yl]cyclohexanecarboxamide is O=C(Nc1cc2ccccc2cc1NC(=O)C1CCCCC1)C1CCCCC1.
What is the InChIKey of N-[3-(cyclohexanecarbonylamino)naphthalen-2-yl]cyclohexanecarboxamide?
The InChIKey is OCAOUSUVHVDTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c27-23(17-9-3-1-4-10-17)25-21-15-19-13-7-8-14-20(19)16-22(21)26-24(28)18-11-5-2-6-12-18/h7-8,13-18H,1-6,9-12H2,(H,25,27)(H,26,28).
What are the key properties of N-[3-(cyclohexanecarbonylamino)naphthalen-2-yl]cyclohexanecarboxamide?
N-[3-(cyclohexanecarbonylamino)naphthalen-2-yl]cyclohexanecarboxamide has a molecular weight of 378.52 g/mol, XLogP of 5.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclohexanecarbonylamino)naphthalen-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 4181428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).