[2-(naphthalen-1-ylamino)-2-oxoethyl] adamantane-1-carboxylate

C23H25NO3 — CID 7867122

IUPAC[2-(naphthalen-1-ylamino)-2-oxoethyl] adamantane-1-carboxylate
SMILESO=C(COC(=O)C12CC3CC(CC(C3)C1)C2)Nc1cccc2ccccc12
InChIInChI=1S/C23H25NO3/c25-21(24-20-7-3-5-18-4-1-2-6-19(18)20)14-27-22(26)23-11-15-8-16(12-23)10-17(9-15)13-23/h1-7,15-17H,8-14H2,(H,24,25)
InChIKeyREGFIEHYMIUMAP-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.54
Rot. Bonds4

About [2-(naphthalen-1-ylamino)-2-oxoethyl] adamantane-1-carboxylate

[2-(naphthalen-1-ylamino)-2-oxoethyl] adamantane-1-carboxylate (PubChem CID 7867122) has the molecular formula C23H25NO3 and a molecular weight of 363.46 g/mol. Its IUPAC name is [2-(naphthalen-1-ylamino)-2-oxoethyl] adamantane-1-carboxylate.

Molecular Properties

Compound Name[2-(naphthalen-1-ylamino)-2-oxoethyl] adamantane-1-carboxylate
PubChem CID7867122
Molecular FormulaC23H25NO3
Molecular Weight363.46 g/mol
Exact Mass363.18
IUPAC Name[2-(naphthalen-1-ylamino)-2-oxoethyl] adamantane-1-carboxylate
SMILESO=C(COC(=O)C12CC3CC(CC(C3)C1)C2)Nc1cccc2ccccc12
InChIInChI=1S/C23H25NO3/c25-21(24-20-7-3-5-18-4-1-2-6-19(18)20)14-27-22(26)23-11-15-8-16(12-23)10-17(9-15)13-23/h1-7,15-17H,8-14H2,(H,24,25)
InChIKeyREGFIEHYMIUMAP-UHFFFAOYSA-N
XLogP4.54
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-fluoroanilino)-2-oxoethyl] adamantane-1-carboxylate
CID 5008790
[2-(3-methylanilino)-2-oxoethyl] adamantane-1-carboxylate
CID 4828855
[2-(2-fluoroanilino)-2-oxoethyl] (5S,7R)-3-bromoadamantane-1-carboxylate
CID 7415252
[2-(2-chloroanilino)-2-oxoethyl] (5S,7R)-3-chloroadamantane-1-carboxylate
CID 7844088
[2-(benzylcarbamoylamino)-2-oxoethyl] adamantane-1-carboxylate
CID 4024964
[2-(naphthalen-1-ylamino)-2-oxoethyl] thiophene-2-carboxylate
CID 733915
[2-(naphthalen-1-ylamino)-2-oxoethyl] propanoate
CID 2352930
[2-(3-methylsulfanylanilino)-2-oxoethyl] adamantane-1-carboxylate
CID 5056388
[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] adamantane-1-carboxylate
CID 23990804
[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] adamantane-1-carboxylate
CID 7514436
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
[2-[4-(diethylamino)anilino]-2-oxoethyl] adamantane-1-carboxylate
CID 23738204

Frequently Asked Questions

What is the IUPAC name of [2-(naphthalen-1-ylamino)-2-oxoethyl] adamantane-1-carboxylate?
The IUPAC name of [2-(naphthalen-1-ylamino)-2-oxoethyl] adamantane-1-carboxylate (CID 7867122) is [2-(naphthalen-1-ylamino)-2-oxoethyl] adamantane-1-carboxylate.
What is the SMILES notation for [2-(naphthalen-1-ylamino)-2-oxoethyl] adamantane-1-carboxylate?
The canonical SMILES for [2-(naphthalen-1-ylamino)-2-oxoethyl] adamantane-1-carboxylate is O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)Nc1cccc2ccccc12.
What is the InChIKey of [2-(naphthalen-1-ylamino)-2-oxoethyl] adamantane-1-carboxylate?
The InChIKey is REGFIEHYMIUMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO3/c25-21(24-20-7-3-5-18-4-1-2-6-19(18)20)14-27-22(26)23-11-15-8-16(12-23)10-17(9-15)13-23/h1-7,15-17H,8-14H2,(H,24,25).
What are the key properties of [2-(naphthalen-1-ylamino)-2-oxoethyl] adamantane-1-carboxylate?
[2-(naphthalen-1-ylamino)-2-oxoethyl] adamantane-1-carboxylate has a molecular weight of 363.46 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(naphthalen-1-ylamino)-2-oxoethyl] adamantane-1-carboxylate is sourced from PubChem (CID 7867122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).