N-(2,4-dimethylphenyl)-2-[2-(5-phenyltetrazol-2-yl)acetyl]-2,8-diazaspiro[4.5]decane-8-carboxamide

C26H31N7O2 — CID 3735152

IUPACN-(2,4-dimethylphenyl)-2-[2-(5-phenyltetrazol-2-yl)acetyl]-2,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCc1ccc(NC(=O)N2CCC3(CCN(C(=O)Cn4nnc(-c5ccccc5)n4)C3)CC2)c(C)c1
InChIInChI=1S/C26H31N7O2/c1-19-8-9-22(20(2)16-19)27-25(35)31-13-10-26(11-14-31)12-15-32(18-26)23(34)17-33-29-24(28-30-33)21-6-4-3-5-7-21/h3-9,16H,10-15,17-18H2,1-2H3,(H,27,35)
InChIKeyNKHVDFVMLPPFLS-UHFFFAOYSA-N
MW473.58 g/mol
LogP3.50
Rot. Bonds4

About N-(2,4-dimethylphenyl)-2-[2-(5-phenyltetrazol-2-yl)acetyl]-2,8-diazaspiro[4.5]decane-8-carboxamide

N-(2,4-dimethylphenyl)-2-[2-(5-phenyltetrazol-2-yl)acetyl]-2,8-diazaspiro[4.5]decane-8-carboxamide (PubChem CID 3735152) has the molecular formula C26H31N7O2 and a molecular weight of 473.58 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-[2-(5-phenyltetrazol-2-yl)acetyl]-2,8-diazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-[2-(5-phenyltetrazol-2-yl)acetyl]-2,8-diazaspiro[4.5]decane-8-carboxamide
PubChem CID3735152
Molecular FormulaC26H31N7O2
Molecular Weight473.58 g/mol
Exact Mass473.25
IUPAC NameN-(2,4-dimethylphenyl)-2-[2-(5-phenyltetrazol-2-yl)acetyl]-2,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCc1ccc(NC(=O)N2CCC3(CCN(C(=O)Cn4nnc(-c5ccccc5)n4)C3)CC2)c(C)c1
InChIInChI=1S/C26H31N7O2/c1-19-8-9-22(20(2)16-19)27-25(35)31-13-10-26(11-14-31)12-15-32(18-26)23(34)17-33-29-24(28-30-33)21-6-4-3-5-7-21/h3-9,16H,10-15,17-18H2,1-2H3,(H,27,35)
InChIKeyNKHVDFVMLPPFLS-UHFFFAOYSA-N
XLogP3.50
TPSA96.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.58
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-dimethylphenyl)-2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)acetyl]-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 3539078
methyl (2S)-2-benzamido-4-[8-[(2,4-dimethylphenyl)carbamoyl]-2,8-diazaspiro[4.5]decan-2-yl]-4-oxobutanoate
CID 74228977
N-(2,4-dimethylphenyl)-2-[2-[2-(trifluoromethoxy)phenyl]acetyl]-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 3715315
N-(4-bromo-2-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 7634164
N-(2,4-dimethylphenyl)-2-(5-oxo-1-phenylpyrrolidine-3-carbonyl)-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 5000469
2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanoyl]-N-(2,4-dimethylphenyl)-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 3865111
1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone
CID 9262794
N-(2,4-dimethylphenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 4796992
N-(2,4-dimethylphenyl)-4-(hydroxymethyl)-4-(2-phenoxyethyl)piperidine-1-carboxamide
CID 42210994
1-(4-benzylpiperidin-1-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone
CID 7465704
N-(3-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 856053
1-[4-(methylaminomethyl)piperidin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone
CID 119545660

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-[2-(5-phenyltetrazol-2-yl)acetyl]-2,8-diazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-[2-(5-phenyltetrazol-2-yl)acetyl]-2,8-diazaspiro[4.5]decane-8-carboxamide (CID 3735152) is N-(2,4-dimethylphenyl)-2-[2-(5-phenyltetrazol-2-yl)acetyl]-2,8-diazaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-[2-(5-phenyltetrazol-2-yl)acetyl]-2,8-diazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-[2-(5-phenyltetrazol-2-yl)acetyl]-2,8-diazaspiro[4.5]decane-8-carboxamide is Cc1ccc(NC(=O)N2CCC3(CCN(C(=O)Cn4nnc(-c5ccccc5)n4)C3)CC2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-[2-(5-phenyltetrazol-2-yl)acetyl]-2,8-diazaspiro[4.5]decane-8-carboxamide?
The InChIKey is NKHVDFVMLPPFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N7O2/c1-19-8-9-22(20(2)16-19)27-25(35)31-13-10-26(11-14-31)12-15-32(18-26)23(34)17-33-29-24(28-30-33)21-6-4-3-5-7-21/h3-9,16H,10-15,17-18H2,1-2H3,(H,27,35).
What are the key properties of N-(2,4-dimethylphenyl)-2-[2-(5-phenyltetrazol-2-yl)acetyl]-2,8-diazaspiro[4.5]decane-8-carboxamide?
N-(2,4-dimethylphenyl)-2-[2-(5-phenyltetrazol-2-yl)acetyl]-2,8-diazaspiro[4.5]decane-8-carboxamide has a molecular weight of 473.58 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-[2-(5-phenyltetrazol-2-yl)acetyl]-2,8-diazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 3735152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).