N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-3-(5-methyltetrazol-1-yl)propanamide

C15H19N5O3 — CID 131906368

IUPACN-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-3-(5-methyltetrazol-1-yl)propanamide
SMILESCOc1cccc2c1OCC(NC(=O)CCn1nnnc1C)C2
InChIInChI=1S/C15H19N5O3/c1-10-17-18-19-20(10)7-6-14(21)16-12-8-11-4-3-5-13(22-2)15(11)23-9-12/h3-5,12H,6-9H2,1-2H3,(H,16,21)
InChIKeyGWSISDOYIAGZCG-UHFFFAOYSA-N
MW317.35 g/mol
LogP0.50
Rot. Bonds5

About N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-3-(5-methyltetrazol-1-yl)propanamide

N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-3-(5-methyltetrazol-1-yl)propanamide (PubChem CID 131906368) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-3-(5-methyltetrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-3-(5-methyltetrazol-1-yl)propanamide
PubChem CID131906368
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC NameN-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-3-(5-methyltetrazol-1-yl)propanamide
SMILESCOc1cccc2c1OCC(NC(=O)CCn1nnnc1C)C2
InChIInChI=1S/C15H19N5O3/c1-10-17-18-19-20(10)7-6-14(21)16-12-8-11-4-3-5-13(22-2)15(11)23-9-12/h3-5,12H,6-9H2,1-2H3,(H,16,21)
InChIKeyGWSISDOYIAGZCG-UHFFFAOYSA-N
XLogP0.50
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-(1,2,4-triazol-1-yl)butanamide
CID 131930153
N-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-3-(2,2,2-trifluoroethylamino)propanamide
CID 96539789
1-(1,3-dimethylpyrazol-4-yl)-3-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)urea
CID 126776076
N-[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]thiomorpholine-4-carboxamide
CID 95977711
N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-2,6-dimethylpyrimidine-4-carboxamide
CID 131932776
4-acetyl-N-[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-1,4-diazepane-1-carboxamide
CID 95568985
N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(2-methylbenzimidazol-1-yl)propanamide
CID 97284153
N-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 137222532
N-[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-2H-benzotriazole-5-carboxamide
CID 129396887
N-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-2H-benzotriazole-5-carboxamide
CID 129396888
3-[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-1-methyl-1-(pyridin-4-ylmethyl)urea
CID 95977707
N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide
CID 97192487

Frequently Asked Questions

What is the IUPAC name of N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-3-(5-methyltetrazol-1-yl)propanamide?
The IUPAC name of N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-3-(5-methyltetrazol-1-yl)propanamide (CID 131906368) is N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-3-(5-methyltetrazol-1-yl)propanamide.
What is the SMILES notation for N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-3-(5-methyltetrazol-1-yl)propanamide?
The canonical SMILES for N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-3-(5-methyltetrazol-1-yl)propanamide is COc1cccc2c1OCC(NC(=O)CCn1nnnc1C)C2.
What is the InChIKey of N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-3-(5-methyltetrazol-1-yl)propanamide?
The InChIKey is GWSISDOYIAGZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-10-17-18-19-20(10)7-6-14(21)16-12-8-11-4-3-5-13(22-2)15(11)23-9-12/h3-5,12H,6-9H2,1-2H3,(H,16,21).
What are the key properties of N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-3-(5-methyltetrazol-1-yl)propanamide?
N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-3-(5-methyltetrazol-1-yl)propanamide has a molecular weight of 317.35 g/mol, XLogP of 0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-3-(5-methyltetrazol-1-yl)propanamide is sourced from PubChem (CID 131906368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).