N-(cyclobutylmethyl)-4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-methylbenzamide

C18H22N4O — CID 71979029

IUPACN-(cyclobutylmethyl)-4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-methylbenzamide
SMILESCN(CC1CCC1)C(=O)c1ccc(-c2n[nH]c(C3CC3)n2)cc1
InChIInChI=1S/C18H22N4O/c1-22(11-12-3-2-4-12)18(23)15-9-7-14(8-10-15)17-19-16(20-21-17)13-5-6-13/h7-10,12-13H,2-6,11H2,1H3,(H,19,20,21)
InChIKeyPAMJPYMPCBGBAM-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.22
Rot. Bonds5

About N-(cyclobutylmethyl)-4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-methylbenzamide

N-(cyclobutylmethyl)-4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-methylbenzamide (PubChem CID 71979029) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-methylbenzamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-methylbenzamide
PubChem CID71979029
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC NameN-(cyclobutylmethyl)-4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-methylbenzamide
SMILESCN(CC1CCC1)C(=O)c1ccc(-c2n[nH]c(C3CC3)n2)cc1
InChIInChI=1S/C18H22N4O/c1-22(11-12-3-2-4-12)18(23)15-9-7-14(8-10-15)17-19-16(20-21-17)13-5-6-13/h7-10,12-13H,2-6,11H2,1H3,(H,19,20,21)
InChIKeyPAMJPYMPCBGBAM-UHFFFAOYSA-N
XLogP3.22
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-methylbenzamide?
The IUPAC name of N-(cyclobutylmethyl)-4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-methylbenzamide (CID 71979029) is N-(cyclobutylmethyl)-4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-methylbenzamide.
What is the SMILES notation for N-(cyclobutylmethyl)-4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-methylbenzamide?
The canonical SMILES for N-(cyclobutylmethyl)-4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-methylbenzamide is CN(CC1CCC1)C(=O)c1ccc(-c2n[nH]c(C3CC3)n2)cc1.
What is the InChIKey of N-(cyclobutylmethyl)-4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-methylbenzamide?
The InChIKey is PAMJPYMPCBGBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-22(11-12-3-2-4-12)18(23)15-9-7-14(8-10-15)17-19-16(20-21-17)13-5-6-13/h7-10,12-13H,2-6,11H2,1H3,(H,19,20,21).
What are the key properties of N-(cyclobutylmethyl)-4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-methylbenzamide?
N-(cyclobutylmethyl)-4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-methylbenzamide has a molecular weight of 310.40 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-methylbenzamide is sourced from PubChem (CID 71979029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).