N-phenyl-2-[(4-phenylphenyl)methyl]-2,7-diazaspiro[3.4]octane-7-carboxamide

C26H27N3O — CID 97392793

IUPACN-phenyl-2-[(4-phenylphenyl)methyl]-2,7-diazaspiro[3.4]octane-7-carboxamide
SMILESO=C(Nc1ccccc1)N1CCC2(CN(Cc3ccc(-c4ccccc4)cc3)C2)C1
InChIInChI=1S/C26H27N3O/c30-25(27-24-9-5-2-6-10-24)29-16-15-26(20-29)18-28(19-26)17-21-11-13-23(14-12-21)22-7-3-1-4-8-22/h1-14H,15-20H2,(H,27,30)
InChIKeyJVWJOUJSCDXHSJ-UHFFFAOYSA-N
MW397.52 g/mol
LogP5.09
Rot. Bonds4

About N-phenyl-2-[(4-phenylphenyl)methyl]-2,7-diazaspiro[3.4]octane-7-carboxamide

N-phenyl-2-[(4-phenylphenyl)methyl]-2,7-diazaspiro[3.4]octane-7-carboxamide (PubChem CID 97392793) has the molecular formula C26H27N3O and a molecular weight of 397.52 g/mol. Its IUPAC name is N-phenyl-2-[(4-phenylphenyl)methyl]-2,7-diazaspiro[3.4]octane-7-carboxamide.

Molecular Properties

Compound NameN-phenyl-2-[(4-phenylphenyl)methyl]-2,7-diazaspiro[3.4]octane-7-carboxamide
PubChem CID97392793
Molecular FormulaC26H27N3O
Molecular Weight397.52 g/mol
Exact Mass397.22
IUPAC NameN-phenyl-2-[(4-phenylphenyl)methyl]-2,7-diazaspiro[3.4]octane-7-carboxamide
SMILESO=C(Nc1ccccc1)N1CCC2(CN(Cc3ccc(-c4ccccc4)cc3)C2)C1
InChIInChI=1S/C26H27N3O/c30-25(27-24-9-5-2-6-10-24)29-16-15-26(20-29)18-28(19-26)17-21-11-13-23(14-12-21)22-7-3-1-4-8-22/h1-14H,15-20H2,(H,27,30)
InChIKeyJVWJOUJSCDXHSJ-UHFFFAOYSA-N
XLogP5.09
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.52
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-phenyl-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octane-7-carboxamide
CID 97392794
2-(4-chlorophenyl)-1-[2-[(4-phenylphenyl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]ethanone
CID 97472463
[(5R)-7-[(4-phenylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(1,3-thiazol-4-yl)methanone
CID 97473134
[7-[(4-phenylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(1,3-thiazol-4-yl)methanone
CID 131661553
9-(oxan-4-ylmethyl)-N-phenyl-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 131638814
2-(1-methylimidazole-4-carbonyl)-N-phenyl-2,7-diazaspiro[3.4]octane-7-carboxamide
CID 97411912
2-(4-fluorophenyl)-3-oxo-N-phenyl-2,7-diazaspiro[4.4]nonane-7-carboxamide
CID 134073071
(5S)-7-methylsulfonyl-N-phenyl-2,7-diazaspiro[4.5]decane-2-carboxamide
CID 3234504
4,4-dimethyl-N-phenylpiperidine-1-carboxamide
CID 110749467
7-methylsulfonyl-N-phenyl-2,7-diazaspiro[3.5]nonane-2-carboxamide
CID 3235269
4-benzyl-N-(4-ethylphenyl)piperazine-1-carboxamide
CID 6470727
3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-N,3-diphenylpiperidine-1-carboxamide
CID 24739554

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-[(4-phenylphenyl)methyl]-2,7-diazaspiro[3.4]octane-7-carboxamide?
The IUPAC name of N-phenyl-2-[(4-phenylphenyl)methyl]-2,7-diazaspiro[3.4]octane-7-carboxamide (CID 97392793) is N-phenyl-2-[(4-phenylphenyl)methyl]-2,7-diazaspiro[3.4]octane-7-carboxamide.
What is the SMILES notation for N-phenyl-2-[(4-phenylphenyl)methyl]-2,7-diazaspiro[3.4]octane-7-carboxamide?
The canonical SMILES for N-phenyl-2-[(4-phenylphenyl)methyl]-2,7-diazaspiro[3.4]octane-7-carboxamide is O=C(Nc1ccccc1)N1CCC2(CN(Cc3ccc(-c4ccccc4)cc3)C2)C1.
What is the InChIKey of N-phenyl-2-[(4-phenylphenyl)methyl]-2,7-diazaspiro[3.4]octane-7-carboxamide?
The InChIKey is JVWJOUJSCDXHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O/c30-25(27-24-9-5-2-6-10-24)29-16-15-26(20-29)18-28(19-26)17-21-11-13-23(14-12-21)22-7-3-1-4-8-22/h1-14H,15-20H2,(H,27,30).
What are the key properties of N-phenyl-2-[(4-phenylphenyl)methyl]-2,7-diazaspiro[3.4]octane-7-carboxamide?
N-phenyl-2-[(4-phenylphenyl)methyl]-2,7-diazaspiro[3.4]octane-7-carboxamide has a molecular weight of 397.52 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-[(4-phenylphenyl)methyl]-2,7-diazaspiro[3.4]octane-7-carboxamide is sourced from PubChem (CID 97392793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).