2-[benzoyl-[[3-[(5-methyl-2-phenyltriazol-4-yl)methoxy]phenyl]methyl]amino]acetic acid

C26H24N4O4 — CID 20770904

IUPAC2-[benzoyl-[[3-[(5-methyl-2-phenyltriazol-4-yl)methoxy]phenyl]methyl]amino]acetic acid
SMILESCc1nn(-c2ccccc2)nc1COc1cccc(CN(CC(=O)O)C(=O)c2ccccc2)c1
InChIInChI=1S/C26H24N4O4/c1-19-24(28-30(27-19)22-12-6-3-7-13-22)18-34-23-14-8-9-20(15-23)16-29(17-25(31)32)26(33)21-10-4-2-5-11-21/h2-15H,16-18H2,1H3,(H,31,32)
InChIKeyQTWVZRYNWHCBLM-UHFFFAOYSA-N
MW456.50 g/mol
LogP3.88
Rot. Bonds9

About 2-[benzoyl-[[3-[(5-methyl-2-phenyltriazol-4-yl)methoxy]phenyl]methyl]amino]acetic acid

2-[benzoyl-[[3-[(5-methyl-2-phenyltriazol-4-yl)methoxy]phenyl]methyl]amino]acetic acid (PubChem CID 20770904) has the molecular formula C26H24N4O4 and a molecular weight of 456.50 g/mol. Its IUPAC name is 2-[benzoyl-[[3-[(5-methyl-2-phenyltriazol-4-yl)methoxy]phenyl]methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[benzoyl-[[3-[(5-methyl-2-phenyltriazol-4-yl)methoxy]phenyl]methyl]amino]acetic acid
PubChem CID20770904
Molecular FormulaC26H24N4O4
Molecular Weight456.50 g/mol
Exact Mass456.18
IUPAC Name2-[benzoyl-[[3-[(5-methyl-2-phenyltriazol-4-yl)methoxy]phenyl]methyl]amino]acetic acid
SMILESCc1nn(-c2ccccc2)nc1COc1cccc(CN(CC(=O)O)C(=O)c2ccccc2)c1
InChIInChI=1S/C26H24N4O4/c1-19-24(28-30(27-19)22-12-6-3-7-13-22)18-34-23-14-8-9-20(15-23)16-29(17-25(31)32)26(33)21-10-4-2-5-11-21/h2-15H,16-18H2,1H3,(H,31,32)
InChIKeyQTWVZRYNWHCBLM-UHFFFAOYSA-N
XLogP3.88
TPSA97.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[benzoyl-[[3-[(5-methyl-2-phenyltriazol-4-yl)methoxy]phenyl]methyl]amino]acetic acid with MolForge

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Related Compounds

2-[(4-methoxyphenoxy)carbonyl-[[3-[(5-methyl-2-phenyltriazol-4-yl)methoxy]phenyl]methyl]amino]acetic acid
CID 10345943
2-[(4-methoxyphenoxy)carbonyl-[[3-[3-(5-methyl-2-phenyltriazol-4-yl)propoxy]phenyl]methyl]amino]acetic acid;3-[3-(5-methyl-2-phenyltriazol-4-yl)propoxy]benzaldehyde
CID 158206703
2-[(5-methyl-2-phenyltriazole-4-carbonyl)-(pyridin-2-ylmethyl)amino]acetic acid
CID 24805230
3-[4-[(5-methyl-2-phenyltriazol-4-yl)methoxy]phenyl]butanoic acid
CID 70842789
2-[(4-methylphenoxy)carbonyl-[[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]amino]acetic acid
CID 22087654
3-methoxy-N-(2-methylpropyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide
CID 42725516
2-[ethyl-[3-(methoxymethyl)benzoyl]amino]acetic acid
CID 54901381
N-(2-morpholin-4-ylethyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide
CID 42704967
N-benzyl-3-[(2-chlorophenyl)methoxy]-N-ethylbenzamide
CID 100750102
3-[[3-[(3-phenylmethoxyphenyl)methoxy]benzoyl]-[(4-phenylmethoxyphenyl)methyl]amino]propanoic acid
CID 66913001
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-3-phenylmethoxybenzamide
CID 26266292
2-[benzyl-(3-fluorobenzoyl)amino]acetic acid
CID 84583368

Frequently Asked Questions

What is the IUPAC name of 2-[benzoyl-[[3-[(5-methyl-2-phenyltriazol-4-yl)methoxy]phenyl]methyl]amino]acetic acid?
The IUPAC name of 2-[benzoyl-[[3-[(5-methyl-2-phenyltriazol-4-yl)methoxy]phenyl]methyl]amino]acetic acid (CID 20770904) is 2-[benzoyl-[[3-[(5-methyl-2-phenyltriazol-4-yl)methoxy]phenyl]methyl]amino]acetic acid.
What is the SMILES notation for 2-[benzoyl-[[3-[(5-methyl-2-phenyltriazol-4-yl)methoxy]phenyl]methyl]amino]acetic acid?
The canonical SMILES for 2-[benzoyl-[[3-[(5-methyl-2-phenyltriazol-4-yl)methoxy]phenyl]methyl]amino]acetic acid is Cc1nn(-c2ccccc2)nc1COc1cccc(CN(CC(=O)O)C(=O)c2ccccc2)c1.
What is the InChIKey of 2-[benzoyl-[[3-[(5-methyl-2-phenyltriazol-4-yl)methoxy]phenyl]methyl]amino]acetic acid?
The InChIKey is QTWVZRYNWHCBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O4/c1-19-24(28-30(27-19)22-12-6-3-7-13-22)18-34-23-14-8-9-20(15-23)16-29(17-25(31)32)26(33)21-10-4-2-5-11-21/h2-15H,16-18H2,1H3,(H,31,32).
What are the key properties of 2-[benzoyl-[[3-[(5-methyl-2-phenyltriazol-4-yl)methoxy]phenyl]methyl]amino]acetic acid?
2-[benzoyl-[[3-[(5-methyl-2-phenyltriazol-4-yl)methoxy]phenyl]methyl]amino]acetic acid has a molecular weight of 456.50 g/mol, XLogP of 3.88, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzoyl-[[3-[(5-methyl-2-phenyltriazol-4-yl)methoxy]phenyl]methyl]amino]acetic acid is sourced from PubChem (CID 20770904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).