N-(4-methoxycyclohexyl)-N-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide

C18H24N4O2 — CID 75535641

IUPACN-(4-methoxycyclohexyl)-N-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
SMILESCOC1CCC(N(C)C(=O)c2ccc(-c3n[nH]c(C)n3)cc2)CC1
InChIInChI=1S/C18H24N4O2/c1-12-19-17(21-20-12)13-4-6-14(7-5-13)18(23)22(2)15-8-10-16(24-3)11-9-15/h4-7,15-16H,8-11H2,1-3H3,(H,19,20,21)
InChIKeyRVAMPARGQRHVAA-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.81
Rot. Bonds4

About N-(4-methoxycyclohexyl)-N-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide

N-(4-methoxycyclohexyl)-N-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide (PubChem CID 75535641) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-(4-methoxycyclohexyl)-N-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide.

Molecular Properties

Compound NameN-(4-methoxycyclohexyl)-N-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
PubChem CID75535641
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-(4-methoxycyclohexyl)-N-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
SMILESCOC1CCC(N(C)C(=O)c2ccc(-c3n[nH]c(C)n3)cc2)CC1
InChIInChI=1S/C18H24N4O2/c1-12-19-17(21-20-12)13-4-6-14(7-5-13)18(23)22(2)15-8-10-16(24-3)11-9-15/h4-7,15-16H,8-11H2,1-3H3,(H,19,20,21)
InChIKeyRVAMPARGQRHVAA-UHFFFAOYSA-N
XLogP2.81
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxycyclohexyl)-N-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide?
The IUPAC name of N-(4-methoxycyclohexyl)-N-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide (CID 75535641) is N-(4-methoxycyclohexyl)-N-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide.
What is the SMILES notation for N-(4-methoxycyclohexyl)-N-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide?
The canonical SMILES for N-(4-methoxycyclohexyl)-N-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide is COC1CCC(N(C)C(=O)c2ccc(-c3n[nH]c(C)n3)cc2)CC1.
What is the InChIKey of N-(4-methoxycyclohexyl)-N-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide?
The InChIKey is RVAMPARGQRHVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-12-19-17(21-20-12)13-4-6-14(7-5-13)18(23)22(2)15-8-10-16(24-3)11-9-15/h4-7,15-16H,8-11H2,1-3H3,(H,19,20,21).
What are the key properties of N-(4-methoxycyclohexyl)-N-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide?
N-(4-methoxycyclohexyl)-N-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide has a molecular weight of 328.42 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxycyclohexyl)-N-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide is sourced from PubChem (CID 75535641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).