3-(benzotriazol-1-yl)-N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]propanamide

C20H22N4O3 — CID 72908717

IUPAC3-(benzotriazol-1-yl)-N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]propanamide
SMILESCOc1cccc2c1OCC(CNC(=O)CCn1nnc3ccccc31)C2
InChIInChI=1S/C20H22N4O3/c1-26-18-8-4-5-15-11-14(13-27-20(15)18)12-21-19(25)9-10-24-17-7-3-2-6-16(17)22-23-24/h2-8,14H,9-13H2,1H3,(H,21,25)
InChIKeyGBONMQAPTFNXAZ-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.20
Rot. Bonds6

About 3-(benzotriazol-1-yl)-N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]propanamide

3-(benzotriazol-1-yl)-N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]propanamide (PubChem CID 72908717) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 3-(benzotriazol-1-yl)-N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(benzotriazol-1-yl)-N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]propanamide
PubChem CID72908717
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name3-(benzotriazol-1-yl)-N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]propanamide
SMILESCOc1cccc2c1OCC(CNC(=O)CCn1nnc3ccccc31)C2
InChIInChI=1S/C20H22N4O3/c1-26-18-8-4-5-15-11-14(13-27-20(15)18)12-21-19(25)9-10-24-17-7-3-2-6-16(17)22-23-24/h2-8,14H,9-13H2,1H3,(H,21,25)
InChIKeyGBONMQAPTFNXAZ-UHFFFAOYSA-N
XLogP2.20
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(benzotriazol-1-yl)-N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]propanamide?
The IUPAC name of 3-(benzotriazol-1-yl)-N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]propanamide (CID 72908717) is 3-(benzotriazol-1-yl)-N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]propanamide.
What is the SMILES notation for 3-(benzotriazol-1-yl)-N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]propanamide?
The canonical SMILES for 3-(benzotriazol-1-yl)-N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]propanamide is COc1cccc2c1OCC(CNC(=O)CCn1nnc3ccccc31)C2.
What is the InChIKey of 3-(benzotriazol-1-yl)-N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]propanamide?
The InChIKey is GBONMQAPTFNXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-26-18-8-4-5-15-11-14(13-27-20(15)18)12-21-19(25)9-10-24-17-7-3-2-6-16(17)22-23-24/h2-8,14H,9-13H2,1H3,(H,21,25).
What are the key properties of 3-(benzotriazol-1-yl)-N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]propanamide?
3-(benzotriazol-1-yl)-N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]propanamide has a molecular weight of 366.42 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzotriazol-1-yl)-N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]propanamide is sourced from PubChem (CID 72908717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).