N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]-2-(tetrazol-1-yl)acetamide

C19H19N5O2 — CID 56782972

IUPACN-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]-2-(tetrazol-1-yl)acetamide
SMILESO=C(Cn1cnnn1)NC(c1ccccc1)c1ccc2c(c1)CCCO2
InChIInChI=1S/C19H19N5O2/c25-18(12-24-13-20-22-23-24)21-19(14-5-2-1-3-6-14)16-8-9-17-15(11-16)7-4-10-26-17/h1-3,5-6,8-9,11,13,19H,4,7,10,12H2,(H,21,25)
InChIKeyQFDWPKCURHZOFS-UHFFFAOYSA-N
MW349.39 g/mol
LogP1.90
Rot. Bonds5

About N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]-2-(tetrazol-1-yl)acetamide

N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]-2-(tetrazol-1-yl)acetamide (PubChem CID 56782972) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]-2-(tetrazol-1-yl)acetamide
PubChem CID56782972
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC NameN-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]-2-(tetrazol-1-yl)acetamide
SMILESO=C(Cn1cnnn1)NC(c1ccccc1)c1ccc2c(c1)CCCO2
InChIInChI=1S/C19H19N5O2/c25-18(12-24-13-20-22-23-24)21-19(14-5-2-1-3-6-14)16-8-9-17-15(11-16)7-4-10-26-17/h1-3,5-6,8-9,11,13,19H,4,7,10,12H2,(H,21,25)
InChIKeyQFDWPKCURHZOFS-UHFFFAOYSA-N
XLogP1.90
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]-2-(tetrazol-1-yl)acetamide (CID 56782972) is N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]-2-(tetrazol-1-yl)acetamide is O=C(Cn1cnnn1)NC(c1ccccc1)c1ccc2c(c1)CCCO2.
What is the InChIKey of N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]-2-(tetrazol-1-yl)acetamide?
The InChIKey is QFDWPKCURHZOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c25-18(12-24-13-20-22-23-24)21-19(14-5-2-1-3-6-14)16-8-9-17-15(11-16)7-4-10-26-17/h1-3,5-6,8-9,11,13,19H,4,7,10,12H2,(H,21,25).
What are the key properties of N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]-2-(tetrazol-1-yl)acetamide?
N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]-2-(tetrazol-1-yl)acetamide has a molecular weight of 349.39 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 56782972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).