N-[3-(naphthalene-1-carbonylamino)-1-adamantyl]naphthalene-1-carboxamide

C32H30N2O2 — CID 170205515

IUPACN-[3-(naphthalene-1-carbonylamino)-1-adamantyl]naphthalene-1-carboxamide
SMILESO=C(NC12CC3CC(C1)CC(NC(=O)c1cccc4ccccc14)(C3)C2)c1cccc2ccccc12
InChIInChI=1S/C32H30N2O2/c35-29(27-13-5-9-23-7-1-3-11-25(23)27)33-31-16-21-15-22(17-31)19-32(18-21,20-31)34-30(36)28-14-6-10-24-8-2-4-12-26(24)28/h1-14,21-22H,15-20H2,(H,33,35)(H,34,36)
InChIKeyGIPQSDBQTRQVIK-UHFFFAOYSA-N
MW474.60 g/mol
LogP6.24
Rot. Bonds4

About N-[3-(naphthalene-1-carbonylamino)-1-adamantyl]naphthalene-1-carboxamide

N-[3-(naphthalene-1-carbonylamino)-1-adamantyl]naphthalene-1-carboxamide (PubChem CID 170205515) has the molecular formula C32H30N2O2 and a molecular weight of 474.60 g/mol. Its IUPAC name is N-[3-(naphthalene-1-carbonylamino)-1-adamantyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[3-(naphthalene-1-carbonylamino)-1-adamantyl]naphthalene-1-carboxamide
PubChem CID170205515
Molecular FormulaC32H30N2O2
Molecular Weight474.60 g/mol
Exact Mass474.23
IUPAC NameN-[3-(naphthalene-1-carbonylamino)-1-adamantyl]naphthalene-1-carboxamide
SMILESO=C(NC12CC3CC(C1)CC(NC(=O)c1cccc4ccccc14)(C3)C2)c1cccc2ccccc12
InChIInChI=1S/C32H30N2O2/c35-29(27-13-5-9-23-7-1-3-11-25(23)27)33-31-16-21-15-22(17-31)19-32(18-21,20-31)34-30(36)28-14-6-10-24-8-2-4-12-26(24)28/h1-14,21-22H,15-20H2,(H,33,35)(H,34,36)
InChIKeyGIPQSDBQTRQVIK-UHFFFAOYSA-N
XLogP6.24
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.60
LogP ≤ 56.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(1-(1-phenylethyl)piperidin-4-yl)-1-naphthamide
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N-(1-(4-phenylbutyl)piperidin-4-yl)-1-naphthamide
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2-Methyl-N-(1R-naphthalen-1-yl-ethyl)-benzamide
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N-(1-benzylpiperidin-4-yl)naphthalene-1-carboxamide
CID 4064333
N-[3-(dimethylamino)-1-naphthalen-2-ylpropyl]-4-naphthalen-2-ylbenzamide;hydrochloride
CID 45481579
N-[3-(dimethylamino)-1-naphthalen-2-ylpropyl]-3-phenylbenzamide;hydrochloride
CID 45482423
N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-4-naphthalen-2-ylbenzamide;hydrochloride
CID 45482455
N-[3-(4-benzylpiperidin-1-yl)propyl]naphthalene-2-carboxamide
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Naphthalene-2-carboxylic acid (3,3-diphenyl-allyl)-amide
CID 44265914

Frequently Asked Questions

What is the IUPAC name of N-[3-(naphthalene-1-carbonylamino)-1-adamantyl]naphthalene-1-carboxamide?
The IUPAC name of N-[3-(naphthalene-1-carbonylamino)-1-adamantyl]naphthalene-1-carboxamide (CID 170205515) is N-[3-(naphthalene-1-carbonylamino)-1-adamantyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[3-(naphthalene-1-carbonylamino)-1-adamantyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[3-(naphthalene-1-carbonylamino)-1-adamantyl]naphthalene-1-carboxamide is O=C(NC12CC3CC(C1)CC(NC(=O)c1cccc4ccccc14)(C3)C2)c1cccc2ccccc12.
What is the InChIKey of N-[3-(naphthalene-1-carbonylamino)-1-adamantyl]naphthalene-1-carboxamide?
The InChIKey is GIPQSDBQTRQVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N2O2/c35-29(27-13-5-9-23-7-1-3-11-25(23)27)33-31-16-21-15-22(17-31)19-32(18-21,20-31)34-30(36)28-14-6-10-24-8-2-4-12-26(24)28/h1-14,21-22H,15-20H2,(H,33,35)(H,34,36).
What are the key properties of N-[3-(naphthalene-1-carbonylamino)-1-adamantyl]naphthalene-1-carboxamide?
N-[3-(naphthalene-1-carbonylamino)-1-adamantyl]naphthalene-1-carboxamide has a molecular weight of 474.60 g/mol, XLogP of 6.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(naphthalene-1-carbonylamino)-1-adamantyl]naphthalene-1-carboxamide is sourced from PubChem (CID 170205515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).