N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide

C18H25N5O — CID 11899134

IUPACN-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
SMILESCc1ccccc1-c1nnn(CC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)n1
InChIInChI=1S/C18H25N5O/c1-12-8-6-10-16(14(12)3)19-17(24)11-23-21-18(20-22-23)15-9-5-4-7-13(15)2/h4-5,7,9,12,14,16H,6,8,10-11H2,1-3H3,(H,19,24)/t12-,14+,16-/m1/s1
InChIKeyXUMNDXYCEBBJHL-IVMMDQJWSA-N
MW327.43 g/mol
LogP2.59
Rot. Bonds4

About N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide

N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide (PubChem CID 11899134) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
PubChem CID11899134
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC NameN-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
SMILESCc1ccccc1-c1nnn(CC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)n1
InChIInChI=1S/C18H25N5O/c1-12-8-6-10-16(14(12)3)19-17(24)11-23-21-18(20-22-23)15-9-5-4-7-13(15)2/h4-5,7,9,12,14,16H,6,8,10-11H2,1-3H3,(H,19,24)/t12-,14+,16-/m1/s1
InChIKeyXUMNDXYCEBBJHL-IVMMDQJWSA-N
XLogP2.59
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(2-bromophenyl)tetrazol-2-yl]-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide
CID 11920988
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 7634183
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2,3-dimethylcyclohexyl)acetamide
CID 4825781
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 7634930
N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 11936841
N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 94469376
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 9355690
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]acetamide
CID 9120378
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide
CID 38638849
N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 11907937
N-[2-(aminomethyl)cyclopentyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 119603819
N-[(1R,2R)-2-methylcyclohexyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 9128184

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide (CID 11899134) is N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide is Cc1ccccc1-c1nnn(CC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)n1.
What is the InChIKey of N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide?
The InChIKey is XUMNDXYCEBBJHL-IVMMDQJWSA-N. The full InChI is InChI=1S/C18H25N5O/c1-12-8-6-10-16(14(12)3)19-17(24)11-23-21-18(20-22-23)15-9-5-4-7-13(15)2/h4-5,7,9,12,14,16H,6,8,10-11H2,1-3H3,(H,19,24)/t12-,14+,16-/m1/s1.
What are the key properties of N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide?
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide has a molecular weight of 327.43 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 11899134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).