N-(cyclobutylmethyl)-N-[(2,4-dimethoxyphenyl)methyl]-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide

C18H24N4O4 — CID 154755982

IUPACN-(cyclobutylmethyl)-N-[(2,4-dimethoxyphenyl)methyl]-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide
SMILESCOc1ccc(CN(CC2CCC2)C(=O)Cn2cn[nH]c2=O)c(OC)c1
InChIInChI=1S/C18H24N4O4/c1-25-15-7-6-14(16(8-15)26-2)10-21(9-13-4-3-5-13)17(23)11-22-12-19-20-18(22)24/h6-8,12-13H,3-5,9-11H2,1-2H3,(H,20,24)
InChIKeyDLUZBEOOXHEYKK-UHFFFAOYSA-N
MW360.41 g/mol
LogP1.42
Rot. Bonds8

About N-(cyclobutylmethyl)-N-[(2,4-dimethoxyphenyl)methyl]-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide

N-(cyclobutylmethyl)-N-[(2,4-dimethoxyphenyl)methyl]-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide (PubChem CID 154755982) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-N-[(2,4-dimethoxyphenyl)methyl]-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-N-[(2,4-dimethoxyphenyl)methyl]-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide
PubChem CID154755982
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC NameN-(cyclobutylmethyl)-N-[(2,4-dimethoxyphenyl)methyl]-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide
SMILESCOc1ccc(CN(CC2CCC2)C(=O)Cn2cn[nH]c2=O)c(OC)c1
InChIInChI=1S/C18H24N4O4/c1-25-15-7-6-14(16(8-15)26-2)10-21(9-13-4-3-5-13)17(23)11-22-12-19-20-18(22)24/h6-8,12-13H,3-5,9-11H2,1-2H3,(H,20,24)
InChIKeyDLUZBEOOXHEYKK-UHFFFAOYSA-N
XLogP1.42
TPSA89.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(cyclobutylmethyl)-N-[(2,4-dimethoxyphenyl)methyl]-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide 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-(cyclobutylmethyl)-N-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 126807842
3-cyclohexyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methylpropanamide
CID 112790503
4-[[[cyclopropylmethyl-[(2,4-dimethoxyphenyl)methyl]carbamoyl]amino]methyl]benzoic acid
CID 122020500
3-cyclohexyl-1-cyclopentyl-1-[(2,4-dimethoxyphenyl)methyl]urea
CID 4276870
1-cyclopentyl-1-[(2,4-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)urea
CID 74231555
2-(2,4-dimethoxyphenyl)-N,N-diethylacetamide
CID 60651948
2-[(5S)-4,4-bis(4-fluorophenyl)-2-oxo-5-phenylimidazolidin-1-yl]-N,N-bis[(2,4-dimethoxyphenyl)methyl]acetamide
CID 118340391
2-(2,4-dimethoxyphenyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 110767883
N-[(2,4-dimethoxyphenyl)methyl]-N-(1-methylpyrazol-4-yl)cyclopentanecarboxamide
CID 71873157
N-cyclopentyl-2-(2,4-dimethoxyphenyl)acetamide
CID 17474203
2-[cyclopropyl-[(2,4-dimethoxyphenyl)methyl]amino]acetic acid
CID 39364524
(1S)-N-[(2,4-dimethoxyphenyl)methyl]-N-(2-hydroxyethyl)cyclohex-3-ene-1-carboxamide
CID 95622434

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-N-[(2,4-dimethoxyphenyl)methyl]-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide?
The IUPAC name of N-(cyclobutylmethyl)-N-[(2,4-dimethoxyphenyl)methyl]-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide (CID 154755982) is N-(cyclobutylmethyl)-N-[(2,4-dimethoxyphenyl)methyl]-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide.
What is the SMILES notation for N-(cyclobutylmethyl)-N-[(2,4-dimethoxyphenyl)methyl]-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide?
The canonical SMILES for N-(cyclobutylmethyl)-N-[(2,4-dimethoxyphenyl)methyl]-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide is COc1ccc(CN(CC2CCC2)C(=O)Cn2cn[nH]c2=O)c(OC)c1.
What is the InChIKey of N-(cyclobutylmethyl)-N-[(2,4-dimethoxyphenyl)methyl]-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide?
The InChIKey is DLUZBEOOXHEYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4/c1-25-15-7-6-14(16(8-15)26-2)10-21(9-13-4-3-5-13)17(23)11-22-12-19-20-18(22)24/h6-8,12-13H,3-5,9-11H2,1-2H3,(H,20,24).
What are the key properties of N-(cyclobutylmethyl)-N-[(2,4-dimethoxyphenyl)methyl]-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide?
N-(cyclobutylmethyl)-N-[(2,4-dimethoxyphenyl)methyl]-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide has a molecular weight of 360.41 g/mol, XLogP of 1.42, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-N-[(2,4-dimethoxyphenyl)methyl]-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide is sourced from PubChem (CID 154755982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).