1-[4-(ethylcarbamoyl)-2-phenylmethoxyphenyl]-5-methyltriazole-4-carboxylic acid

C20H20N4O4 — CID 68515237

IUPAC1-[4-(ethylcarbamoyl)-2-phenylmethoxyphenyl]-5-methyltriazole-4-carboxylic acid
SMILESCCNC(=O)c1ccc(-n2nnc(C(=O)O)c2C)c(OCc2ccccc2)c1
InChIInChI=1S/C20H20N4O4/c1-3-21-19(25)15-9-10-16(24-13(2)18(20(26)27)22-23-24)17(11-15)28-12-14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3,(H,21,25)(H,26,27)
InChIKeyJNAIDXJPSDCPBE-UHFFFAOYSA-N
MW380.40 g/mol
LogP2.60
Rot. Bonds7

About 1-[4-(ethylcarbamoyl)-2-phenylmethoxyphenyl]-5-methyltriazole-4-carboxylic acid

1-[4-(ethylcarbamoyl)-2-phenylmethoxyphenyl]-5-methyltriazole-4-carboxylic acid (PubChem CID 68515237) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is 1-[4-(ethylcarbamoyl)-2-phenylmethoxyphenyl]-5-methyltriazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[4-(ethylcarbamoyl)-2-phenylmethoxyphenyl]-5-methyltriazole-4-carboxylic acid
PubChem CID68515237
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC Name1-[4-(ethylcarbamoyl)-2-phenylmethoxyphenyl]-5-methyltriazole-4-carboxylic acid
SMILESCCNC(=O)c1ccc(-n2nnc(C(=O)O)c2C)c(OCc2ccccc2)c1
InChIInChI=1S/C20H20N4O4/c1-3-21-19(25)15-9-10-16(24-13(2)18(20(26)27)22-23-24)17(11-15)28-12-14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3,(H,21,25)(H,26,27)
InChIKeyJNAIDXJPSDCPBE-UHFFFAOYSA-N
XLogP2.60
TPSA106.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[4-(ethylcarbamoyl)-2-phenylmethoxyphenyl]-5-methyltriazole-4-carboxylic acid 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

N-ethyl-2-phenylmethoxypyridine-4-carboxamide
CID 47366269
N-cyclopropyl-1-[4-(ethylcarbamoyl)-2-propoxyphenyl]-5-propyltriazole-4-carboxamide
CID 68516322
1-(3-methoxyphenyl)-5-methyl-N-[(2-phenylmethoxyphenyl)methyl]triazole-4-carboxamide
CID 55806463
1-[4-(ethylcarbamoyl)-2-pent-4-enoxyphenyl]-N-phenylmethoxytriazole-4-carboxamide
CID 87800049
1-[4-(ethylcarbamoyl)phenyl]-5-(methylsulfanylmethyl)-N-[(2-phenylmethoxy-4-pyridinyl)methyl]triazole-4-carboxamide
CID 69372432
N-benzyl-3-ethoxy-4-phenylmethoxybenzamide
CID 2192321
N-benzyl-1-[4-(ethylcarbamoyl)-2-[2-(2-fluoroethoxy)ethoxy]phenyl]triazole-4-carboxamide
CID 87800448
3-amino-N-ethyl-4-[(4-methylphenyl)methoxy]benzamide
CID 82070214
1-[2-[(2,6-difluorophenyl)methoxy]-4-(ethylcarbamoyl)phenyl]triazole-4-carboxamide
CID 68518230
4-methoxy-N-methyl-3-phenylmethoxybenzamide
CID 138553454
1-(5-benzyl-1,3-thiazol-2-yl)-5-methyltriazole-4-carboxylic acid
CID 44632976
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-3-phenylmethoxybenzamide
CID 102275791

Frequently Asked Questions

What is the IUPAC name of 1-[4-(ethylcarbamoyl)-2-phenylmethoxyphenyl]-5-methyltriazole-4-carboxylic acid?
The IUPAC name of 1-[4-(ethylcarbamoyl)-2-phenylmethoxyphenyl]-5-methyltriazole-4-carboxylic acid (CID 68515237) is 1-[4-(ethylcarbamoyl)-2-phenylmethoxyphenyl]-5-methyltriazole-4-carboxylic acid.
What is the SMILES notation for 1-[4-(ethylcarbamoyl)-2-phenylmethoxyphenyl]-5-methyltriazole-4-carboxylic acid?
The canonical SMILES for 1-[4-(ethylcarbamoyl)-2-phenylmethoxyphenyl]-5-methyltriazole-4-carboxylic acid is CCNC(=O)c1ccc(-n2nnc(C(=O)O)c2C)c(OCc2ccccc2)c1.
What is the InChIKey of 1-[4-(ethylcarbamoyl)-2-phenylmethoxyphenyl]-5-methyltriazole-4-carboxylic acid?
The InChIKey is JNAIDXJPSDCPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-3-21-19(25)15-9-10-16(24-13(2)18(20(26)27)22-23-24)17(11-15)28-12-14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3,(H,21,25)(H,26,27).
What are the key properties of 1-[4-(ethylcarbamoyl)-2-phenylmethoxyphenyl]-5-methyltriazole-4-carboxylic acid?
1-[4-(ethylcarbamoyl)-2-phenylmethoxyphenyl]-5-methyltriazole-4-carboxylic acid has a molecular weight of 380.40 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(ethylcarbamoyl)-2-phenylmethoxyphenyl]-5-methyltriazole-4-carboxylic acid is sourced from PubChem (CID 68515237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).