2-(benzotriazol-1-yloxy)-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]acetamide

C17H18N4O3 — CID 71997092

IUPAC2-(benzotriazol-1-yloxy)-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]acetamide
SMILESCc1ccc(CN(C(=O)COn2nnc3ccccc32)C2CC2)o1
InChIInChI=1S/C17H18N4O3/c1-12-6-9-14(24-12)10-20(13-7-8-13)17(22)11-23-21-16-5-3-2-4-15(16)18-19-21/h2-6,9,13H,7-8,10-11H2,1H3
InChIKeyLYZCMNBMPPCOQB-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.95
Rot. Bonds6

About 2-(benzotriazol-1-yloxy)-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]acetamide

2-(benzotriazol-1-yloxy)-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]acetamide (PubChem CID 71997092) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 2-(benzotriazol-1-yloxy)-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yloxy)-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]acetamide
PubChem CID71997092
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name2-(benzotriazol-1-yloxy)-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]acetamide
SMILESCc1ccc(CN(C(=O)COn2nnc3ccccc32)C2CC2)o1
InChIInChI=1S/C17H18N4O3/c1-12-6-9-14(24-12)10-20(13-7-8-13)17(22)11-23-21-16-5-3-2-4-15(16)18-19-21/h2-6,9,13H,7-8,10-11H2,1H3
InChIKeyLYZCMNBMPPCOQB-UHFFFAOYSA-N
XLogP1.95
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-2-methoxy-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 60793853
2-(benzotriazol-1-yloxy)-N-benzyl-N-tert-butylacetamide
CID 35932817
N-cyclopropyl-2-(3-methylazetidin-3-yl)oxy-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 102655903
3-chloro-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 60949956
N-cyclopropyl-5-hydroxy-N-[(5-methylfuran-2-yl)methyl]pentanamide
CID 79198698
(2R)-2-amino-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-2-phenylacetamide
CID 61162622
N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 54872080
N-cyclopropyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 60794855
2-bromo-N-cyclopropyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 114328211
2-(4-acetyl-2-methoxyphenoxy)-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 87005207
N-cyclopropyl-3-(cyclopropylamino)-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 54871938
N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-2-piperidin-4-ylsulfanylacetamide
CID 114627014

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yloxy)-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]acetamide?
The IUPAC name of 2-(benzotriazol-1-yloxy)-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]acetamide (CID 71997092) is 2-(benzotriazol-1-yloxy)-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yloxy)-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]acetamide?
The canonical SMILES for 2-(benzotriazol-1-yloxy)-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]acetamide is Cc1ccc(CN(C(=O)COn2nnc3ccccc32)C2CC2)o1.
What is the InChIKey of 2-(benzotriazol-1-yloxy)-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]acetamide?
The InChIKey is LYZCMNBMPPCOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-12-6-9-14(24-12)10-20(13-7-8-13)17(22)11-23-21-16-5-3-2-4-15(16)18-19-21/h2-6,9,13H,7-8,10-11H2,1H3.
What are the key properties of 2-(benzotriazol-1-yloxy)-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]acetamide?
2-(benzotriazol-1-yloxy)-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]acetamide has a molecular weight of 326.36 g/mol, XLogP of 1.95, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yloxy)-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]acetamide is sourced from PubChem (CID 71997092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).