1-(N-[2-(5-aminotetrazol-1-yl)acetyl]-4-methoxyanilino)-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide

C25H31N7O3 — CID 3937256

IUPAC1-(N-[2-(5-aminotetrazol-1-yl)acetyl]-4-methoxyanilino)-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide
SMILESCOc1ccc(N(C(=O)Cn2nnnc2N)C2(C(=O)Nc3c(C)cccc3C)CCCCC2)cc1
InChIInChI=1S/C25H31N7O3/c1-17-8-7-9-18(2)22(17)27-23(34)25(14-5-4-6-15-25)32(19-10-12-20(35-3)13-11-19)21(33)16-31-24(26)28-29-30-31/h7-13H,4-6,14-16H2,1-3H3,(H,27,34)(H2,26,28,30)
InChIKeyLFRIYNIWORJADB-UHFFFAOYSA-N
MW477.57 g/mol
LogP3.26
Rot. Bonds7

About 1-(N-[2-(5-aminotetrazol-1-yl)acetyl]-4-methoxyanilino)-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide

1-(N-[2-(5-aminotetrazol-1-yl)acetyl]-4-methoxyanilino)-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide (PubChem CID 3937256) has the molecular formula C25H31N7O3 and a molecular weight of 477.57 g/mol. Its IUPAC name is 1-(N-[2-(5-aminotetrazol-1-yl)acetyl]-4-methoxyanilino)-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(N-[2-(5-aminotetrazol-1-yl)acetyl]-4-methoxyanilino)-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide
PubChem CID3937256
Molecular FormulaC25H31N7O3
Molecular Weight477.57 g/mol
Exact Mass477.25
IUPAC Name1-(N-[2-(5-aminotetrazol-1-yl)acetyl]-4-methoxyanilino)-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide
SMILESCOc1ccc(N(C(=O)Cn2nnnc2N)C2(C(=O)Nc3c(C)cccc3C)CCCCC2)cc1
InChIInChI=1S/C25H31N7O3/c1-17-8-7-9-18(2)22(17)27-23(34)25(14-5-4-6-15-25)32(19-10-12-20(35-3)13-11-19)21(33)16-31-24(26)28-29-30-31/h7-13H,4-6,14-16H2,1-3H3,(H,27,34)(H2,26,28,30)
InChIKeyLFRIYNIWORJADB-UHFFFAOYSA-N
XLogP3.26
TPSA128.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.57
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-(N-[2-(5-aminotetrazol-1-yl)acetyl]-4-methoxyanilino)-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide with MolForge

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Related Compounds

1-(N-[2-(5-aminotetrazol-1-yl)acetyl]-4-methylanilino)-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide
CID 1045081
1-(4-acetamido-N-[2-(5-aminotetrazol-1-yl)acetyl]anilino)-N-(2-methylphenyl)cyclohexane-1-carboxamide
CID 1045912
4-acetamido-N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-N-(4-methoxyphenyl)benzamide
CID 56696062
1-(N-(2-acetamidoacetyl)anilino)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 5222480
1-[[2-(benzotriazol-1-yl)acetyl]-[(2-methylphenyl)methyl]amino]-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 3276641
(2S)-N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-N-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 92962240
N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-N-(4-methylphenyl)pyridine-2-carboxamide
CID 1078846
1-[acetyl(methyl)amino]-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide
CID 830885
1-(N-[2-(3-amino-1H-1,2,4-triazol-5-yl)acetyl]anilino)-N-(2-methylphenyl)cyclohexane-1-carboxamide
CID 4616773
2-[[2-(5-aminotetrazol-1-yl)acetyl]-methylamino]-N-(4-methoxyphenyl)-2-methylbutanamide
CID 3558870
1-[[2-(benzotriazol-1-yl)acetyl]-[(4-chlorophenyl)methyl]amino]-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 5081546
N-butyl-N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]pyridine-2-carboxamide
CID 3102026

Frequently Asked Questions

What is the IUPAC name of 1-(N-[2-(5-aminotetrazol-1-yl)acetyl]-4-methoxyanilino)-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(N-[2-(5-aminotetrazol-1-yl)acetyl]-4-methoxyanilino)-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide (CID 3937256) is 1-(N-[2-(5-aminotetrazol-1-yl)acetyl]-4-methoxyanilino)-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(N-[2-(5-aminotetrazol-1-yl)acetyl]-4-methoxyanilino)-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(N-[2-(5-aminotetrazol-1-yl)acetyl]-4-methoxyanilino)-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide is COc1ccc(N(C(=O)Cn2nnnc2N)C2(C(=O)Nc3c(C)cccc3C)CCCCC2)cc1.
What is the InChIKey of 1-(N-[2-(5-aminotetrazol-1-yl)acetyl]-4-methoxyanilino)-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide?
The InChIKey is LFRIYNIWORJADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7O3/c1-17-8-7-9-18(2)22(17)27-23(34)25(14-5-4-6-15-25)32(19-10-12-20(35-3)13-11-19)21(33)16-31-24(26)28-29-30-31/h7-13H,4-6,14-16H2,1-3H3,(H,27,34)(H2,26,28,30).
What are the key properties of 1-(N-[2-(5-aminotetrazol-1-yl)acetyl]-4-methoxyanilino)-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide?
1-(N-[2-(5-aminotetrazol-1-yl)acetyl]-4-methoxyanilino)-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide has a molecular weight of 477.57 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N-[2-(5-aminotetrazol-1-yl)acetyl]-4-methoxyanilino)-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 3937256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).