N-[1-(adamantane-1-carbonylamino)naphthalen-2-yl]adamantane-1-carboxamide

C32H38N2O2 — CID 171577010

IUPACN-[1-(adamantane-1-carbonylamino)naphthalen-2-yl]adamantane-1-carboxamide
SMILESO=C(Nc1ccc2ccccc2c1NC(=O)C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C32H38N2O2/c35-29(31-13-19-7-20(14-31)9-21(8-19)15-31)33-27-6-5-25-3-1-2-4-26(25)28(27)34-30(36)32-16-22-10-23(17-32)12-24(11-22)18-32/h1-6,19-24H,7-18H2,(H,33,35)(H,34,36)
InChIKeyFYKPZMGFDUUTKA-UHFFFAOYSA-N
MW482.67 g/mol
LogP7.15
Rot. Bonds4

About N-[1-(adamantane-1-carbonylamino)naphthalen-2-yl]adamantane-1-carboxamide

N-[1-(adamantane-1-carbonylamino)naphthalen-2-yl]adamantane-1-carboxamide (PubChem CID 171577010) has the molecular formula C32H38N2O2 and a molecular weight of 482.67 g/mol. Its IUPAC name is N-[1-(adamantane-1-carbonylamino)naphthalen-2-yl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(adamantane-1-carbonylamino)naphthalen-2-yl]adamantane-1-carboxamide
PubChem CID171577010
Molecular FormulaC32H38N2O2
Molecular Weight482.67 g/mol
Exact Mass482.29
IUPAC NameN-[1-(adamantane-1-carbonylamino)naphthalen-2-yl]adamantane-1-carboxamide
SMILESO=C(Nc1ccc2ccccc2c1NC(=O)C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C32H38N2O2/c35-29(31-13-19-7-20(14-31)9-21(8-19)15-31)33-27-6-5-25-3-1-2-4-26(25)28(27)34-30(36)32-16-22-10-23(17-32)12-24(11-22)18-32/h1-6,19-24H,7-18H2,(H,33,35)(H,34,36)
InChIKeyFYKPZMGFDUUTKA-UHFFFAOYSA-N
XLogP7.15
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.67
LogP ≤ 57.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(adamantane-1-carbonylamino)naphthalen-2-yl]adamantane-1-carboxamide?
The IUPAC name of N-[1-(adamantane-1-carbonylamino)naphthalen-2-yl]adamantane-1-carboxamide (CID 171577010) is N-[1-(adamantane-1-carbonylamino)naphthalen-2-yl]adamantane-1-carboxamide.
What is the SMILES notation for N-[1-(adamantane-1-carbonylamino)naphthalen-2-yl]adamantane-1-carboxamide?
The canonical SMILES for N-[1-(adamantane-1-carbonylamino)naphthalen-2-yl]adamantane-1-carboxamide is O=C(Nc1ccc2ccccc2c1NC(=O)C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(adamantane-1-carbonylamino)naphthalen-2-yl]adamantane-1-carboxamide?
The InChIKey is FYKPZMGFDUUTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N2O2/c35-29(31-13-19-7-20(14-31)9-21(8-19)15-31)33-27-6-5-25-3-1-2-4-26(25)28(27)34-30(36)32-16-22-10-23(17-32)12-24(11-22)18-32/h1-6,19-24H,7-18H2,(H,33,35)(H,34,36).
What are the key properties of N-[1-(adamantane-1-carbonylamino)naphthalen-2-yl]adamantane-1-carboxamide?
N-[1-(adamantane-1-carbonylamino)naphthalen-2-yl]adamantane-1-carboxamide has a molecular weight of 482.67 g/mol, XLogP of 7.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(adamantane-1-carbonylamino)naphthalen-2-yl]adamantane-1-carboxamide is sourced from PubChem (CID 171577010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).