N-[4-[3-(benzotriazol-1-yl)propanoylamino]-2,5-dimethoxyphenyl]benzamide

C24H23N5O4 — CID 1428066

IUPACN-[4-[3-(benzotriazol-1-yl)propanoylamino]-2,5-dimethoxyphenyl]benzamide
SMILESCOc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CCn1nnc2ccccc21
InChIInChI=1S/C24H23N5O4/c1-32-21-15-19(26-24(31)16-8-4-3-5-9-16)22(33-2)14-18(21)25-23(30)12-13-29-20-11-7-6-10-17(20)27-28-29/h3-11,14-15H,12-13H2,1-2H3,(H,25,30)(H,26,31)
InChIKeyIXOKTQZHDDVWCO-UHFFFAOYSA-N
MW445.48 g/mol
LogP3.73
Rot. Bonds8

About N-[4-[3-(benzotriazol-1-yl)propanoylamino]-2,5-dimethoxyphenyl]benzamide

N-[4-[3-(benzotriazol-1-yl)propanoylamino]-2,5-dimethoxyphenyl]benzamide (PubChem CID 1428066) has the molecular formula C24H23N5O4 and a molecular weight of 445.48 g/mol. Its IUPAC name is N-[4-[3-(benzotriazol-1-yl)propanoylamino]-2,5-dimethoxyphenyl]benzamide.

Molecular Properties

Compound NameN-[4-[3-(benzotriazol-1-yl)propanoylamino]-2,5-dimethoxyphenyl]benzamide
PubChem CID1428066
Molecular FormulaC24H23N5O4
Molecular Weight445.48 g/mol
Exact Mass445.18
IUPAC NameN-[4-[3-(benzotriazol-1-yl)propanoylamino]-2,5-dimethoxyphenyl]benzamide
SMILESCOc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CCn1nnc2ccccc21
InChIInChI=1S/C24H23N5O4/c1-32-21-15-19(26-24(31)16-8-4-3-5-9-16)22(33-2)14-18(21)25-23(30)12-13-29-20-11-7-6-10-17(20)27-28-29/h3-11,14-15H,12-13H2,1-2H3,(H,25,30)(H,26,31)
InChIKeyIXOKTQZHDDVWCO-UHFFFAOYSA-N
XLogP3.73
TPSA107.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(benzotriazol-1-yl)propanoylamino]-2,5-dimethoxyphenyl]benzamide?
The IUPAC name of N-[4-[3-(benzotriazol-1-yl)propanoylamino]-2,5-dimethoxyphenyl]benzamide (CID 1428066) is N-[4-[3-(benzotriazol-1-yl)propanoylamino]-2,5-dimethoxyphenyl]benzamide.
What is the SMILES notation for N-[4-[3-(benzotriazol-1-yl)propanoylamino]-2,5-dimethoxyphenyl]benzamide?
The canonical SMILES for N-[4-[3-(benzotriazol-1-yl)propanoylamino]-2,5-dimethoxyphenyl]benzamide is COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CCn1nnc2ccccc21.
What is the InChIKey of N-[4-[3-(benzotriazol-1-yl)propanoylamino]-2,5-dimethoxyphenyl]benzamide?
The InChIKey is IXOKTQZHDDVWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O4/c1-32-21-15-19(26-24(31)16-8-4-3-5-9-16)22(33-2)14-18(21)25-23(30)12-13-29-20-11-7-6-10-17(20)27-28-29/h3-11,14-15H,12-13H2,1-2H3,(H,25,30)(H,26,31).
What are the key properties of N-[4-[3-(benzotriazol-1-yl)propanoylamino]-2,5-dimethoxyphenyl]benzamide?
N-[4-[3-(benzotriazol-1-yl)propanoylamino]-2,5-dimethoxyphenyl]benzamide has a molecular weight of 445.48 g/mol, XLogP of 3.73, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(benzotriazol-1-yl)propanoylamino]-2,5-dimethoxyphenyl]benzamide is sourced from PubChem (CID 1428066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).