N-cyclopentyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(1,2,4-triazol-1-yl)acetamide

C18H22N4O3 — CID 154747596

IUPACN-cyclopentyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)N(Cc1ccc2c(c1)OCCO2)C1CCCC1
InChIInChI=1S/C18H22N4O3/c23-18(11-21-13-19-12-20-21)22(15-3-1-2-4-15)10-14-5-6-16-17(9-14)25-8-7-24-16/h5-6,9,12-13,15H,1-4,7-8,10-11H2
InChIKeyOXAXPXUPXNNRQV-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.02
Rot. Bonds5

About N-cyclopentyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(1,2,4-triazol-1-yl)acetamide

N-cyclopentyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 154747596) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-cyclopentyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID154747596
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-cyclopentyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)N(Cc1ccc2c(c1)OCCO2)C1CCCC1
InChIInChI=1S/C18H22N4O3/c23-18(11-21-13-19-12-20-21)22(15-3-1-2-4-15)10-14-5-6-16-17(9-14)25-8-7-24-16/h5-6,9,12-13,15H,1-4,7-8,10-11H2
InChIKeyOXAXPXUPXNNRQV-UHFFFAOYSA-N
XLogP2.02
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-cyclopentyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(1,2,4-triazol-1-yl)acetamide with MolForge

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Related Compounds

2-amino-N-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)acetamide
CID 39362122
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentylpyridine-4-carboxamide
CID 8894049
1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 31338497
4-benzyl-N-cyclopentyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)morpholine-2-carboxamide
CID 16755584
1-[2-[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]-2-oxoethyl]indole-3-carboxylic acid
CID 139519094
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 86887405
N-ethyl-N-piperidin-3-yl-2-(1,2,4-triazol-1-yl)acetamide
CID 60807405
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-2-methyl-3-(1,2,4-triazol-1-yl)propanamide
CID 131907809
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-2-(cyclopropylmethylamino)acetamide
CID 119773858
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-3-phenylpropanamide
CID 42723798
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-2-(4-fluorophenyl)sulfanylacetamide
CID 18190229
(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]ethanol
CID 129426249

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-cyclopentyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(1,2,4-triazol-1-yl)acetamide (CID 154747596) is N-cyclopentyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-cyclopentyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-cyclopentyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(1,2,4-triazol-1-yl)acetamide is O=C(Cn1cncn1)N(Cc1ccc2c(c1)OCCO2)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is OXAXPXUPXNNRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c23-18(11-21-13-19-12-20-21)22(15-3-1-2-4-15)10-14-5-6-16-17(9-14)25-8-7-24-16/h5-6,9,12-13,15H,1-4,7-8,10-11H2.
What are the key properties of N-cyclopentyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(1,2,4-triazol-1-yl)acetamide?
N-cyclopentyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 342.40 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 154747596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).