N-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]naphthalene-1-carboxamide

C25H30N2O2 — CID 108539739

IUPACN-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]naphthalene-1-carboxamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NCCNC(=O)c1cccc2ccccc12
InChIInChI=1S/C25H30N2O2/c28-23(16-25-13-17-10-18(14-25)12-19(11-17)15-25)26-8-9-27-24(29)22-7-3-5-20-4-1-2-6-21(20)22/h1-7,17-19H,8-16H2,(H,26,28)(H,27,29)
InChIKeySLYRFDQJLKQYQU-UHFFFAOYSA-N
MW390.53 g/mol
LogP4.29
Rot. Bonds6

About N-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]naphthalene-1-carboxamide

N-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]naphthalene-1-carboxamide (PubChem CID 108539739) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is N-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]naphthalene-1-carboxamide
PubChem CID108539739
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC NameN-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]naphthalene-1-carboxamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NCCNC(=O)c1cccc2ccccc12
InChIInChI=1S/C25H30N2O2/c28-23(16-25-13-17-10-18(14-25)12-19(11-17)15-25)26-8-9-27-24(29)22-7-3-5-20-4-1-2-6-21(20)22/h1-7,17-19H,8-16H2,(H,26,28)(H,27,29)
InChIKeySLYRFDQJLKQYQU-UHFFFAOYSA-N
XLogP4.29
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1-adamantyl)-N-benzylacetamide
CID 3560004
N-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]-2,5-dichlorobenzamide
CID 108539745
N-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]-2,4-dichlorobenzamide
CID 108571535
N-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]-3-chlorobenzamide
CID 108539477
N-[11-(naphthalene-1-carbonylamino)undecyl]naphthalene-1-carboxamide
CID 137492009
N-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]-3,4-dichlorobenzamide
CID 108537881
[3-[2-[[2-(1-adamantyl)acetyl]amino]ethylcarbamoyl]phenyl] acetate
CID 108537447
N-[3-(naphthalene-1-carbonylamino)-1-adamantyl]naphthalene-1-carboxamide
CID 170205515
N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]naphthalene-1-carboxamide
CID 108573158
2-(1-adamantyl)-N-[(3-chlorophenyl)methyl]acetamide
CID 2741139
N-[2-(1-adamantyl)ethyl]-2-iodobenzamide
CID 23968567
N-[2-(1-adamantyl)ethyl]-2-bromobenzamide
CID 43008517

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]naphthalene-1-carboxamide?
The IUPAC name of N-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]naphthalene-1-carboxamide (CID 108539739) is N-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]naphthalene-1-carboxamide is O=C(CC12CC3CC(CC(C3)C1)C2)NCCNC(=O)c1cccc2ccccc12.
What is the InChIKey of N-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]naphthalene-1-carboxamide?
The InChIKey is SLYRFDQJLKQYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2/c28-23(16-25-13-17-10-18(14-25)12-19(11-17)15-25)26-8-9-27-24(29)22-7-3-5-20-4-1-2-6-21(20)22/h1-7,17-19H,8-16H2,(H,26,28)(H,27,29).
What are the key properties of N-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]naphthalene-1-carboxamide?
N-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]naphthalene-1-carboxamide has a molecular weight of 390.53 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]naphthalene-1-carboxamide is sourced from PubChem (CID 108539739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).