2-[[3-(2-hydroxy-2-methoxyethyl)cyclopentyl]methoxy]-N-(1H-1,2,4-triazol-5-yl)benzamide

C18H24N4O4 — CID 155110108

IUPAC2-[[3-(2-hydroxy-2-methoxyethyl)cyclopentyl]methoxy]-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESCOC(O)CC1CCC(COc2ccccc2C(=O)Nc2ncn[nH]2)C1
InChIInChI=1S/C18H24N4O4/c1-25-16(23)9-12-6-7-13(8-12)10-26-15-5-3-2-4-14(15)17(24)21-18-19-11-20-22-18/h2-5,11-13,16,23H,6-10H2,1H3,(H2,19,20,21,22,24)
InChIKeyFYDIYIJZNJBGTH-UHFFFAOYSA-N
MW360.41 g/mol
LogP2.21
Rot. Bonds8

About 2-[[3-(2-hydroxy-2-methoxyethyl)cyclopentyl]methoxy]-N-(1H-1,2,4-triazol-5-yl)benzamide

2-[[3-(2-hydroxy-2-methoxyethyl)cyclopentyl]methoxy]-N-(1H-1,2,4-triazol-5-yl)benzamide (PubChem CID 155110108) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is 2-[[3-(2-hydroxy-2-methoxyethyl)cyclopentyl]methoxy]-N-(1H-1,2,4-triazol-5-yl)benzamide.

Molecular Properties

Compound Name2-[[3-(2-hydroxy-2-methoxyethyl)cyclopentyl]methoxy]-N-(1H-1,2,4-triazol-5-yl)benzamide
PubChem CID155110108
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC Name2-[[3-(2-hydroxy-2-methoxyethyl)cyclopentyl]methoxy]-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESCOC(O)CC1CCC(COc2ccccc2C(=O)Nc2ncn[nH]2)C1
InChIInChI=1S/C18H24N4O4/c1-25-16(23)9-12-6-7-13(8-12)10-26-15-5-3-2-4-14(15)17(24)21-18-19-11-20-22-18/h2-5,11-13,16,23H,6-10H2,1H3,(H2,19,20,21,22,24)
InChIKeyFYDIYIJZNJBGTH-UHFFFAOYSA-N
XLogP2.21
TPSA109.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[4-(2-hydroxy-2-methoxyethyl)phenoxy]-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 138641184
2,3-dimethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 912373
2-(cyclopropylmethoxy)-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 155944356
N-(6-amino-3-pyridinyl)-2-(cyclopropylmethoxy)benzamide;hydrochloride
CID 119515874
N-(2-ethoxyphenyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide
CID 108529879
2-(2-phenylethyl)-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 2977312
N-(1H-1,2,4-triazol-5-yl)-2-(trifluoromethylsulfanyl)benzamide
CID 60810768
2-ethoxy-N-[4-[(2-ethoxybenzoyl)amino]phenyl]benzamide
CID 1011206
methyl 2-[[(3S)-pyrrolidin-3-yl]methoxy]benzoate
CID 86320528
2-ethoxy-N-(1H-imidazol-2-yl)benzamide
CID 60967218
2-ethoxy-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzamide
CID 136525651
2-(cyclopropylmethoxy)-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]benzamide
CID 111451224

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-hydroxy-2-methoxyethyl)cyclopentyl]methoxy]-N-(1H-1,2,4-triazol-5-yl)benzamide?
The IUPAC name of 2-[[3-(2-hydroxy-2-methoxyethyl)cyclopentyl]methoxy]-N-(1H-1,2,4-triazol-5-yl)benzamide (CID 155110108) is 2-[[3-(2-hydroxy-2-methoxyethyl)cyclopentyl]methoxy]-N-(1H-1,2,4-triazol-5-yl)benzamide.
What is the SMILES notation for 2-[[3-(2-hydroxy-2-methoxyethyl)cyclopentyl]methoxy]-N-(1H-1,2,4-triazol-5-yl)benzamide?
The canonical SMILES for 2-[[3-(2-hydroxy-2-methoxyethyl)cyclopentyl]methoxy]-N-(1H-1,2,4-triazol-5-yl)benzamide is COC(O)CC1CCC(COc2ccccc2C(=O)Nc2ncn[nH]2)C1.
What is the InChIKey of 2-[[3-(2-hydroxy-2-methoxyethyl)cyclopentyl]methoxy]-N-(1H-1,2,4-triazol-5-yl)benzamide?
The InChIKey is FYDIYIJZNJBGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4/c1-25-16(23)9-12-6-7-13(8-12)10-26-15-5-3-2-4-14(15)17(24)21-18-19-11-20-22-18/h2-5,11-13,16,23H,6-10H2,1H3,(H2,19,20,21,22,24).
What are the key properties of 2-[[3-(2-hydroxy-2-methoxyethyl)cyclopentyl]methoxy]-N-(1H-1,2,4-triazol-5-yl)benzamide?
2-[[3-(2-hydroxy-2-methoxyethyl)cyclopentyl]methoxy]-N-(1H-1,2,4-triazol-5-yl)benzamide has a molecular weight of 360.41 g/mol, XLogP of 2.21, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-hydroxy-2-methoxyethyl)cyclopentyl]methoxy]-N-(1H-1,2,4-triazol-5-yl)benzamide is sourced from PubChem (CID 155110108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).