N-(2-methylcyclohexyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]propanamide

C18H25N5O — CID 42982198

IUPACN-(2-methylcyclohexyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]propanamide
SMILESCc1ccc(-c2nnn(C(C)C(=O)NC3CCCCC3C)n2)cc1
InChIInChI=1S/C18H25N5O/c1-12-8-10-15(11-9-12)17-20-22-23(21-17)14(3)18(24)19-16-7-5-4-6-13(16)2/h8-11,13-14,16H,4-7H2,1-3H3,(H,19,24)
InChIKeyGJUQUZYFRXCBJW-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.90
Rot. Bonds4

About N-(2-methylcyclohexyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]propanamide

N-(2-methylcyclohexyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]propanamide (PubChem CID 42982198) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]propanamide.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]propanamide
PubChem CID42982198
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC NameN-(2-methylcyclohexyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]propanamide
SMILESCc1ccc(-c2nnn(C(C)C(=O)NC3CCCCC3C)n2)cc1
InChIInChI=1S/C18H25N5O/c1-12-8-10-15(11-9-12)17-20-22-23(21-17)14(3)18(24)19-16-7-5-4-6-13(16)2/h8-11,13-14,16H,4-7H2,1-3H3,(H,19,24)
InChIKeyGJUQUZYFRXCBJW-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]propanamide?
The IUPAC name of N-(2-methylcyclohexyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]propanamide (CID 42982198) is N-(2-methylcyclohexyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]propanamide.
What is the SMILES notation for N-(2-methylcyclohexyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]propanamide?
The canonical SMILES for N-(2-methylcyclohexyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]propanamide is Cc1ccc(-c2nnn(C(C)C(=O)NC3CCCCC3C)n2)cc1.
What is the InChIKey of N-(2-methylcyclohexyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]propanamide?
The InChIKey is GJUQUZYFRXCBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-12-8-10-15(11-9-12)17-20-22-23(21-17)14(3)18(24)19-16-7-5-4-6-13(16)2/h8-11,13-14,16H,4-7H2,1-3H3,(H,19,24).
What are the key properties of N-(2-methylcyclohexyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]propanamide?
N-(2-methylcyclohexyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]propanamide has a molecular weight of 327.43 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]propanamide is sourced from PubChem (CID 42982198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).