N-cyclohexyl-4-methoxy-N-[(1-phenyltriazol-4-yl)methyl]benzamide

C23H26N4O2 — CID 56668929

IUPACN-cyclohexyl-4-methoxy-N-[(1-phenyltriazol-4-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)N(Cc2cn(-c3ccccc3)nn2)C2CCCCC2)cc1
InChIInChI=1S/C23H26N4O2/c1-29-22-14-12-18(13-15-22)23(28)26(20-8-4-2-5-9-20)16-19-17-27(25-24-19)21-10-6-3-7-11-21/h3,6-7,10-15,17,20H,2,4-5,8-9,16H2,1H3
InChIKeySTKFRXDSXMUHFW-UHFFFAOYSA-N
MW390.49 g/mol
LogP4.25
Rot. Bonds6

About N-cyclohexyl-4-methoxy-N-[(1-phenyltriazol-4-yl)methyl]benzamide

N-cyclohexyl-4-methoxy-N-[(1-phenyltriazol-4-yl)methyl]benzamide (PubChem CID 56668929) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-cyclohexyl-4-methoxy-N-[(1-phenyltriazol-4-yl)methyl]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-4-methoxy-N-[(1-phenyltriazol-4-yl)methyl]benzamide
PubChem CID56668929
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-cyclohexyl-4-methoxy-N-[(1-phenyltriazol-4-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)N(Cc2cn(-c3ccccc3)nn2)C2CCCCC2)cc1
InChIInChI=1S/C23H26N4O2/c1-29-22-14-12-18(13-15-22)23(28)26(20-8-4-2-5-9-20)16-19-17-27(25-24-19)21-10-6-3-7-11-21/h3,6-7,10-15,17,20H,2,4-5,8-9,16H2,1H3
InChIKeySTKFRXDSXMUHFW-UHFFFAOYSA-N
XLogP4.25
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-methoxy-N-[(1-phenyltriazol-4-yl)methyl]benzamide?
The IUPAC name of N-cyclohexyl-4-methoxy-N-[(1-phenyltriazol-4-yl)methyl]benzamide (CID 56668929) is N-cyclohexyl-4-methoxy-N-[(1-phenyltriazol-4-yl)methyl]benzamide.
What is the SMILES notation for N-cyclohexyl-4-methoxy-N-[(1-phenyltriazol-4-yl)methyl]benzamide?
The canonical SMILES for N-cyclohexyl-4-methoxy-N-[(1-phenyltriazol-4-yl)methyl]benzamide is COc1ccc(C(=O)N(Cc2cn(-c3ccccc3)nn2)C2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-4-methoxy-N-[(1-phenyltriazol-4-yl)methyl]benzamide?
The InChIKey is STKFRXDSXMUHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-29-22-14-12-18(13-15-22)23(28)26(20-8-4-2-5-9-20)16-19-17-27(25-24-19)21-10-6-3-7-11-21/h3,6-7,10-15,17,20H,2,4-5,8-9,16H2,1H3.
What are the key properties of N-cyclohexyl-4-methoxy-N-[(1-phenyltriazol-4-yl)methyl]benzamide?
N-cyclohexyl-4-methoxy-N-[(1-phenyltriazol-4-yl)methyl]benzamide has a molecular weight of 390.49 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-methoxy-N-[(1-phenyltriazol-4-yl)methyl]benzamide is sourced from PubChem (CID 56668929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).