3-methoxy-4-propan-2-yloxy-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide

C22H25N5O4 — CID 46431579

IUPAC3-methoxy-4-propan-2-yloxy-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2ccc(NC(=O)C(C)n3cncn3)cc2)ccc1OC(C)C
InChIInChI=1S/C22H25N5O4/c1-14(2)31-19-10-5-16(11-20(19)30-4)22(29)26-18-8-6-17(7-9-18)25-21(28)15(3)27-13-23-12-24-27/h5-15H,1-4H3,(H,25,28)(H,26,29)
InChIKeyYTEUPBBXRMEWOS-UHFFFAOYSA-N
MW423.47 g/mol
LogP3.53
Rot. Bonds8

About 3-methoxy-4-propan-2-yloxy-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide

3-methoxy-4-propan-2-yloxy-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide (PubChem CID 46431579) has the molecular formula C22H25N5O4 and a molecular weight of 423.47 g/mol. Its IUPAC name is 3-methoxy-4-propan-2-yloxy-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide.

Molecular Properties

Compound Name3-methoxy-4-propan-2-yloxy-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide
PubChem CID46431579
Molecular FormulaC22H25N5O4
Molecular Weight423.47 g/mol
Exact Mass423.19
IUPAC Name3-methoxy-4-propan-2-yloxy-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2ccc(NC(=O)C(C)n3cncn3)cc2)ccc1OC(C)C
InChIInChI=1S/C22H25N5O4/c1-14(2)31-19-10-5-16(11-20(19)30-4)22(29)26-18-8-6-17(7-9-18)25-21(28)15(3)27-13-23-12-24-27/h5-15H,1-4H3,(H,25,28)(H,26,29)
InChIKeyYTEUPBBXRMEWOS-UHFFFAOYSA-N
XLogP3.53
TPSA107.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-methoxy-4-propan-2-yloxy-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-4-ethoxy-5-methoxy-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide
CID 46402638
2,3-dimethyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]quinoxaline-6-carboxamide
CID 55652859
3-chloro-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide
CID 46402720
3-methoxy-N-(4-methylphenyl)-4-propan-2-yloxybenzamide
CID 6457881
3-(methanesulfonamido)-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide
CID 43064718
N-(3,4-dichlorophenyl)-3-methoxy-4-propan-2-yloxybenzamide
CID 2223889
4-pyrazol-1-yl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide
CID 43071024
2-(difluoromethoxy)-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide
CID 43064673
N-[2-methoxy-5-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]pentanamide
CID 46999025
N-[4-[[(E)-3-(5-chloro-2-methoxyphenyl)prop-2-enoyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 60530203
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 42947731
1,3-dimethyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide
CID 43074233

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-propan-2-yloxy-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide?
The IUPAC name of 3-methoxy-4-propan-2-yloxy-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide (CID 46431579) is 3-methoxy-4-propan-2-yloxy-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide.
What is the SMILES notation for 3-methoxy-4-propan-2-yloxy-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide?
The canonical SMILES for 3-methoxy-4-propan-2-yloxy-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide is COc1cc(C(=O)Nc2ccc(NC(=O)C(C)n3cncn3)cc2)ccc1OC(C)C.
What is the InChIKey of 3-methoxy-4-propan-2-yloxy-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide?
The InChIKey is YTEUPBBXRMEWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O4/c1-14(2)31-19-10-5-16(11-20(19)30-4)22(29)26-18-8-6-17(7-9-18)25-21(28)15(3)27-13-23-12-24-27/h5-15H,1-4H3,(H,25,28)(H,26,29).
What are the key properties of 3-methoxy-4-propan-2-yloxy-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide?
3-methoxy-4-propan-2-yloxy-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide has a molecular weight of 423.47 g/mol, XLogP of 3.53, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-propan-2-yloxy-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide is sourced from PubChem (CID 46431579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).