N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(tetrazol-1-yl)benzamide

C19H19N5O3 — CID 97149544

About N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(tetrazol-1-yl)benzamide

N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(tetrazol-1-yl)benzamide (PubChem CID 97149544) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(tetrazol-1-yl)benzamide.

Molecular Properties

• Compound Name: N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(tetrazol-1-yl)benzamide
• PubChem CID: 97149544
• Molecular Formula: C19H19N5O3
• Molecular Weight: 365.39 g/mol
• Exact Mass: 365.15
• IUPAC Name: N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(tetrazol-1-yl)benzamide
• SMILES: COc1ccc2c(c1)OC[C@H](CNC(=O)c1ccc(-n3cnnn3)cc1)C2
• InChI: InChI=1S/C19H19N5O3/c1-26-17-7-4-15-8-13(11-27-18(15)9-17)10-20-19(25)14-2-5-16(6-3-14)24-12-21-22-23-24/h2-7,9,12-13H,8,10-11H2,1H3,(H,20,25)/t13-/m0/s1
• InChIKey: PGFJEZKZZDIMNV-ZDUSSCGKSA-N
• XLogP: 1.65
• TPSA: 91.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.39
LogP ≤ 5	1.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(tetrazol-1-yl)benzamide?

The IUPAC name of N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(tetrazol-1-yl)benzamide (CID 97149544) is N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(tetrazol-1-yl)benzamide.

What is the SMILES notation for N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(tetrazol-1-yl)benzamide?

The canonical SMILES for N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(tetrazol-1-yl)benzamide is COc1ccc2c(c1)OC[C@H](CNC(=O)c1ccc(-n3cnnn3)cc1)C2.

What is the InChIKey of N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(tetrazol-1-yl)benzamide?

The InChIKey is PGFJEZKZZDIMNV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-26-17-7-4-15-8-13(11-27-18(15)9-17)10-20-19(25)14-2-5-16(6-3-14)24-12-21-22-23-24/h2-7,9,12-13H,8,10-11H2,1H3,(H,20,25)/t13-/m0/s1.

What are the key properties of N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(tetrazol-1-yl)benzamide?

N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(tetrazol-1-yl)benzamide has a molecular weight of 365.39 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 97149544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).