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

C25H31N7O2 — CID 1045081

IUPAC1-(N-[2-(5-aminotetrazol-1-yl)acetyl]-4-methylanilino)-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide
SMILESCc1ccc(N(C(=O)Cn2nnnc2N)C2(C(=O)Nc3c(C)cccc3C)CCCCC2)cc1
InChIInChI=1S/C25H31N7O2/c1-17-10-12-20(13-11-17)32(21(33)16-31-24(26)28-29-30-31)25(14-5-4-6-15-25)23(34)27-22-18(2)8-7-9-19(22)3/h7-13H,4-6,14-16H2,1-3H3,(H,27,34)(H2,26,28,30)
InChIKeyCRMOMUFJBONNQA-UHFFFAOYSA-N
MW461.57 g/mol
LogP3.56
Rot. Bonds6

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

1-(N-[2-(5-aminotetrazol-1-yl)acetyl]-4-methylanilino)-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide (PubChem CID 1045081) has the molecular formula C25H31N7O2 and a molecular weight of 461.57 g/mol. Its IUPAC name is 1-(N-[2-(5-aminotetrazol-1-yl)acetyl]-4-methylanilino)-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(N-[2-(5-aminotetrazol-1-yl)acetyl]-4-methylanilino)-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide
PubChem CID1045081
Molecular FormulaC25H31N7O2
Molecular Weight461.57 g/mol
Exact Mass461.25
IUPAC Name1-(N-[2-(5-aminotetrazol-1-yl)acetyl]-4-methylanilino)-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide
SMILESCc1ccc(N(C(=O)Cn2nnnc2N)C2(C(=O)Nc3c(C)cccc3C)CCCCC2)cc1
InChIInChI=1S/C25H31N7O2/c1-17-10-12-20(13-11-17)32(21(33)16-31-24(26)28-29-30-31)25(14-5-4-6-15-25)23(34)27-22-18(2)8-7-9-19(22)3/h7-13H,4-6,14-16H2,1-3H3,(H,27,34)(H2,26,28,30)
InChIKeyCRMOMUFJBONNQA-UHFFFAOYSA-N
XLogP3.56
TPSA119.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.57
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(N-[2-(5-aminotetrazol-1-yl)acetyl]-4-methoxyanilino)-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide
CID 3937256
1-(4-acetamido-N-[2-(5-aminotetrazol-1-yl)acetyl]anilino)-N-(2-methylphenyl)cyclohexane-1-carboxamide
CID 1045912
N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-N-(4-methylphenyl)pyridine-2-carboxamide
CID 1078846
N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-N-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 5142197
(2S)-N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-N-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 92962240
1-[acetyl(methyl)amino]-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide
CID 830885
1-(N-(2-acetamidoacetyl)anilino)-N-(4-methylphenyl)cyclohexane-1-carboxamide
CID 3995261
4-acetamido-N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-N-(4-methoxyphenyl)benzamide
CID 56696062
1-(N-[2-(3-amino-1H-1,2,4-triazol-5-yl)acetyl]anilino)-N-(2-methylphenyl)cyclohexane-1-carboxamide
CID 4616773
N-butyl-N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]pyridine-2-carboxamide
CID 3102026
2-(5-aminotetrazol-1-yl)-N-[(E)-(4-methylphenyl)methylideneamino]acetamide
CID 5334953
ethyl 4-[acetyl(benzyl)amino]-4-[(2,6-dimethylphenyl)carbamoyl]piperidine-1-carboxylate
CID 70380170

Frequently Asked Questions

What is the IUPAC name of 1-(N-[2-(5-aminotetrazol-1-yl)acetyl]-4-methylanilino)-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(N-[2-(5-aminotetrazol-1-yl)acetyl]-4-methylanilino)-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide (CID 1045081) is 1-(N-[2-(5-aminotetrazol-1-yl)acetyl]-4-methylanilino)-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(N-[2-(5-aminotetrazol-1-yl)acetyl]-4-methylanilino)-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(N-[2-(5-aminotetrazol-1-yl)acetyl]-4-methylanilino)-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide is Cc1ccc(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-methylanilino)-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide?
The InChIKey is CRMOMUFJBONNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7O2/c1-17-10-12-20(13-11-17)32(21(33)16-31-24(26)28-29-30-31)25(14-5-4-6-15-25)23(34)27-22-18(2)8-7-9-19(22)3/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-methylanilino)-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide?
1-(N-[2-(5-aminotetrazol-1-yl)acetyl]-4-methylanilino)-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide has a molecular weight of 461.57 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N-[2-(5-aminotetrazol-1-yl)acetyl]-4-methylanilino)-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 1045081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).