[2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl] adamantane-1-carboxylate

C24H31FN2O4 — CID 7866986

IUPAC[2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl] adamantane-1-carboxylate
SMILESCCN(CC(=O)NCc1ccc(F)cc1)C(=O)COC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H31FN2O4/c1-2-27(14-21(28)26-13-16-3-5-20(25)6-4-16)22(29)15-31-23(30)24-10-17-7-18(11-24)9-19(8-17)12-24/h3-6,17-19H,2,7-15H2,1H3,(H,26,28)
InChIKeyBOGPQFBLIVJNNR-UHFFFAOYSA-N
MW430.52 g/mol
LogP3.05
Rot. Bonds8

About [2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl] adamantane-1-carboxylate

[2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl] adamantane-1-carboxylate (PubChem CID 7866986) has the molecular formula C24H31FN2O4 and a molecular weight of 430.52 g/mol. Its IUPAC name is [2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl] adamantane-1-carboxylate.

Molecular Properties

Compound Name[2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl] adamantane-1-carboxylate
PubChem CID7866986
Molecular FormulaC24H31FN2O4
Molecular Weight430.52 g/mol
Exact Mass430.23
IUPAC Name[2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl] adamantane-1-carboxylate
SMILESCCN(CC(=O)NCc1ccc(F)cc1)C(=O)COC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H31FN2O4/c1-2-27(14-21(28)26-13-16-3-5-20(25)6-4-16)22(29)15-31-23(30)24-10-17-7-18(11-24)9-19(8-17)12-24/h3-6,17-19H,2,7-15H2,1H3,(H,26,28)
InChIKeyBOGPQFBLIVJNNR-UHFFFAOYSA-N
XLogP3.05
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.52
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 7261239
[2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 7705225
[2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl] naphthalene-2-carboxylate
CID 7697950
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide
CID 119680686
2-[[2-(2-bromophenoxy)acetyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 112777984
2-[ethyl-[2-(4-iodophenoxy)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 55326117
2-[ethyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 26266195
2-(4-aminophenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide
CID 119680664
2-[ethyl-[2-(2-phenylphenoxy)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 2438719
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-pyrrolidin-2-ylacetamide
CID 119680698
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] (2S)-2-(adamantane-1-carbonylamino)propanoate
CID 8888609
2-[ethyl-[2-(4-propanoylphenoxy)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 7788103

Frequently Asked Questions

What is the IUPAC name of [2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl] adamantane-1-carboxylate?
The IUPAC name of [2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl] adamantane-1-carboxylate (CID 7866986) is [2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl] adamantane-1-carboxylate.
What is the SMILES notation for [2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl] adamantane-1-carboxylate?
The canonical SMILES for [2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl] adamantane-1-carboxylate is CCN(CC(=O)NCc1ccc(F)cc1)C(=O)COC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of [2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl] adamantane-1-carboxylate?
The InChIKey is BOGPQFBLIVJNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN2O4/c1-2-27(14-21(28)26-13-16-3-5-20(25)6-4-16)22(29)15-31-23(30)24-10-17-7-18(11-24)9-19(8-17)12-24/h3-6,17-19H,2,7-15H2,1H3,(H,26,28).
What are the key properties of [2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl] adamantane-1-carboxylate?
[2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl] adamantane-1-carboxylate has a molecular weight of 430.52 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl] adamantane-1-carboxylate is sourced from PubChem (CID 7866986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).