2-(benzotriazol-1-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide

C17H16N4O2 — CID 18193012

IUPAC2-(benzotriazol-1-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
SMILESO=C(Cn1nnc2ccccc21)NC1CCOc2ccccc21
InChIInChI=1S/C17H16N4O2/c22-17(11-21-15-7-3-2-6-14(15)19-20-21)18-13-9-10-23-16-8-4-1-5-12(13)16/h1-8,13H,9-11H2,(H,18,22)
InChIKeyWPRMXOOXJDSDLG-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.07
Rot. Bonds3

About 2-(benzotriazol-1-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide

2-(benzotriazol-1-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide (PubChem CID 18193012) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
PubChem CID18193012
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name2-(benzotriazol-1-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
SMILESO=C(Cn1nnc2ccccc21)NC1CCOc2ccccc21
InChIInChI=1S/C17H16N4O2/c22-17(11-21-15-7-3-2-6-14(15)19-20-21)18-13-9-10-23-16-8-4-1-5-12(13)16/h1-8,13H,9-11H2,(H,18,22)
InChIKeyWPRMXOOXJDSDLG-UHFFFAOYSA-N
XLogP2.07
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dihydro-2H-chromen-4-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 18115170
2-(benzotriazol-1-yl)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 8025550
2-(4-aminopiperidin-1-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide;hydrochloride
CID 119907719
N-(3,4-dihydro-2H-chromen-4-yl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
CID 84941430
3-amino-N-(3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride
CID 119268905
N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(benzotriazol-1-yl)acetamide;dihydrochloride
CID 154577752
(2R)-1-[2-[[(4R)-3,4-dihydro-2H-chromen-4-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 124703387
N-(3,4-dihydro-2H-chromen-4-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 18115280
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)acetamide
CID 97090833
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-(4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)acetamide
CID 97090832
N-(3,4-dihydro-2H-chromen-4-yl)-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide
CID 46524067
5-(3,4-dihydro-2H-chromen-4-ylamino)-5-oxopentanoic acid
CID 43580055

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide (CID 18193012) is 2-(benzotriazol-1-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide is O=C(Cn1nnc2ccccc21)NC1CCOc2ccccc21.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide?
The InChIKey is WPRMXOOXJDSDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c22-17(11-21-15-7-3-2-6-14(15)19-20-21)18-13-9-10-23-16-8-4-1-5-12(13)16/h1-8,13H,9-11H2,(H,18,22).
What are the key properties of 2-(benzotriazol-1-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide?
2-(benzotriazol-1-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide has a molecular weight of 308.34 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide is sourced from PubChem (CID 18193012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).