N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-oxoazepan-1-yl)acetamide

C18H29N5O4 — CID 91789799

IUPACN-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-oxoazepan-1-yl)acetamide
SMILESCOCCn1c(CO)nnc1C1CC(NC(=O)CN2CCCCCC2=O)C1
InChIInChI=1S/C18H29N5O4/c1-27-8-7-23-15(12-24)20-21-18(23)13-9-14(10-13)19-16(25)11-22-6-4-2-3-5-17(22)26/h13-14,24H,2-12H2,1H3,(H,19,25)
InChIKeyPPGMFMDVYXOUSV-UHFFFAOYSA-N
MW379.46 g/mol
LogP0.18
Rot. Bonds8

About N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-oxoazepan-1-yl)acetamide

N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-oxoazepan-1-yl)acetamide (PubChem CID 91789799) has the molecular formula C18H29N5O4 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-oxoazepan-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-oxoazepan-1-yl)acetamide
PubChem CID91789799
Molecular FormulaC18H29N5O4
Molecular Weight379.46 g/mol
Exact Mass379.22
IUPAC NameN-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-oxoazepan-1-yl)acetamide
SMILESCOCCn1c(CO)nnc1C1CC(NC(=O)CN2CCCCCC2=O)C1
InChIInChI=1S/C18H29N5O4/c1-27-8-7-23-15(12-24)20-21-18(23)13-9-14(10-13)19-16(25)11-22-6-4-2-3-5-17(22)26/h13-14,24H,2-12H2,1H3,(H,19,25)
InChIKeyPPGMFMDVYXOUSV-UHFFFAOYSA-N
XLogP0.18
TPSA109.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 91779265
N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2,6-dimethylpyridine-3-carboxamide
CID 91790714
4-hydroxy-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3,5-dimethylbenzamide
CID 91760457
N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide
CID 91786905
N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-methoxy-4-methylbenzamide
CID 91794193
N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]thiophene-3-carboxamide
CID 91780129
5-chloro-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide
CID 91785731
[4-(2-methoxyethyl)-5-[3-(oxan-4-ylamino)cyclobutyl]-1,2,4-triazol-3-yl]methanol
CID 91781965
3-[[2-(2-oxoazepan-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66030936
[4-(2-methoxyethyl)-5-(5-methyloxolan-3-yl)-1,2,4-triazol-3-yl]methanol
CID 114827237
N-cyclooctyl-2-(2-oxopyrrolidin-1-yl)acetamide
CID 39954322
2-(2-oxoazepan-1-yl)-N-pyrrolidin-3-ylacetamide
CID 119451455

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-oxoazepan-1-yl)acetamide?
The IUPAC name of N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-oxoazepan-1-yl)acetamide (CID 91789799) is N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-oxoazepan-1-yl)acetamide.
What is the SMILES notation for N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-oxoazepan-1-yl)acetamide?
The canonical SMILES for N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-oxoazepan-1-yl)acetamide is COCCn1c(CO)nnc1C1CC(NC(=O)CN2CCCCCC2=O)C1.
What is the InChIKey of N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-oxoazepan-1-yl)acetamide?
The InChIKey is PPGMFMDVYXOUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O4/c1-27-8-7-23-15(12-24)20-21-18(23)13-9-14(10-13)19-16(25)11-22-6-4-2-3-5-17(22)26/h13-14,24H,2-12H2,1H3,(H,19,25).
What are the key properties of N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-oxoazepan-1-yl)acetamide?
N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-oxoazepan-1-yl)acetamide has a molecular weight of 379.46 g/mol, XLogP of 0.18, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-oxoazepan-1-yl)acetamide is sourced from PubChem (CID 91789799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).