N-(2-imidazol-1-ylethyl)-6-[2-(4-phenylphenyl)acetyl]-6-azaspiro[2.5]octane-2-carboxamide

C27H30N4O2 — CID 118754104

IUPACN-(2-imidazol-1-ylethyl)-6-[2-(4-phenylphenyl)acetyl]-6-azaspiro[2.5]octane-2-carboxamide
SMILESO=C(NCCn1ccnc1)C1CC12CCN(C(=O)Cc1ccc(-c3ccccc3)cc1)CC2
InChIInChI=1S/C27H30N4O2/c32-25(18-21-6-8-23(9-7-21)22-4-2-1-3-5-22)31-14-10-27(11-15-31)19-24(27)26(33)29-13-17-30-16-12-28-20-30/h1-9,12,16,20,24H,10-11,13-15,17-19H2,(H,29,33)
InChIKeyFDVBBXOGTITYGQ-UHFFFAOYSA-N
MW442.56 g/mol
LogP3.54
Rot. Bonds7

About N-(2-imidazol-1-ylethyl)-6-[2-(4-phenylphenyl)acetyl]-6-azaspiro[2.5]octane-2-carboxamide

N-(2-imidazol-1-ylethyl)-6-[2-(4-phenylphenyl)acetyl]-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 118754104) has the molecular formula C27H30N4O2 and a molecular weight of 442.56 g/mol. Its IUPAC name is N-(2-imidazol-1-ylethyl)-6-[2-(4-phenylphenyl)acetyl]-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound NameN-(2-imidazol-1-ylethyl)-6-[2-(4-phenylphenyl)acetyl]-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID118754104
Molecular FormulaC27H30N4O2
Molecular Weight442.56 g/mol
Exact Mass442.24
IUPAC NameN-(2-imidazol-1-ylethyl)-6-[2-(4-phenylphenyl)acetyl]-6-azaspiro[2.5]octane-2-carboxamide
SMILESO=C(NCCn1ccnc1)C1CC12CCN(C(=O)Cc1ccc(-c3ccccc3)cc1)CC2
InChIInChI=1S/C27H30N4O2/c32-25(18-21-6-8-23(9-7-21)22-4-2-1-3-5-22)31-14-10-27(11-15-31)19-24(27)26(33)29-13-17-30-16-12-28-20-30/h1-9,12,16,20,24H,10-11,13-15,17-19H2,(H,29,33)
InChIKeyFDVBBXOGTITYGQ-UHFFFAOYSA-N
XLogP3.54
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-benzyl-N-(2-imidazol-1-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 126467180
N-(3-imidazol-1-ylpropyl)-2-(4-phenylphenyl)acetamide
CID 35513194
(2R)-N-(2-phenylethyl)-6-(2-phenylsulfanylacetyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 26339474
(2R)-N-(2-phenylethyl)-6-[(E)-3-phenylprop-2-enoyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 42501832
(2R)-6-(3-phenoxypropanoyl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42272774
N-(2-imidazol-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65262248
(2R)-N-(3,5-dimethylphenyl)-6-(2-imidazol-1-ylacetyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42431804
(2S)-N-(3,3-diphenylpropyl)-6-[3-(1,2,4-triazol-1-yl)propanoyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 42540711
(2S,3S)-5-[2-(4-fluorophenyl)acetyl]-N-(pyridin-3-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97492708
(2R)-6-[3-(2-chlorophenyl)propanoyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42484153
6-[2-(1,3-benzodioxol-5-yl)acetyl]-N-phenyl-6-azaspiro[2.5]octane-2-carboxamide
CID 45178295
1-[4-hydroxy-4-(hydroxymethyl)azepan-1-yl]-2-(4-phenylphenyl)ethanone
CID 77085636

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylethyl)-6-[2-(4-phenylphenyl)acetyl]-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of N-(2-imidazol-1-ylethyl)-6-[2-(4-phenylphenyl)acetyl]-6-azaspiro[2.5]octane-2-carboxamide (CID 118754104) is N-(2-imidazol-1-ylethyl)-6-[2-(4-phenylphenyl)acetyl]-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for N-(2-imidazol-1-ylethyl)-6-[2-(4-phenylphenyl)acetyl]-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for N-(2-imidazol-1-ylethyl)-6-[2-(4-phenylphenyl)acetyl]-6-azaspiro[2.5]octane-2-carboxamide is O=C(NCCn1ccnc1)C1CC12CCN(C(=O)Cc1ccc(-c3ccccc3)cc1)CC2.
What is the InChIKey of N-(2-imidazol-1-ylethyl)-6-[2-(4-phenylphenyl)acetyl]-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is FDVBBXOGTITYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O2/c32-25(18-21-6-8-23(9-7-21)22-4-2-1-3-5-22)31-14-10-27(11-15-31)19-24(27)26(33)29-13-17-30-16-12-28-20-30/h1-9,12,16,20,24H,10-11,13-15,17-19H2,(H,29,33).
What are the key properties of N-(2-imidazol-1-ylethyl)-6-[2-(4-phenylphenyl)acetyl]-6-azaspiro[2.5]octane-2-carboxamide?
N-(2-imidazol-1-ylethyl)-6-[2-(4-phenylphenyl)acetyl]-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 442.56 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylethyl)-6-[2-(4-phenylphenyl)acetyl]-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 118754104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).