N-(3,4-dihydro-2H-chromen-4-yl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide

C19H19N5O3 — CID 110243309

IUPACN-(3,4-dihydro-2H-chromen-4-yl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide
SMILESCOc1cccc(-c2nnn(CC(=O)NC3CCOc4ccccc43)n2)c1
InChIInChI=1S/C19H19N5O3/c1-26-14-6-4-5-13(11-14)19-21-23-24(22-19)12-18(25)20-16-9-10-27-17-8-3-2-7-15(16)17/h2-8,11,16H,9-10,12H2,1H3,(H,20,25)
InChIKeyRSNWREPQTLGRCK-UHFFFAOYSA-N
MW365.39 g/mol
LogP1.99
Rot. Bonds5

About N-(3,4-dihydro-2H-chromen-4-yl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide

N-(3,4-dihydro-2H-chromen-4-yl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide (PubChem CID 110243309) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-yl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-yl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide
PubChem CID110243309
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC NameN-(3,4-dihydro-2H-chromen-4-yl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide
SMILESCOc1cccc(-c2nnn(CC(=O)NC3CCOc4ccccc43)n2)c1
InChIInChI=1S/C19H19N5O3/c1-26-14-6-4-5-13(11-14)19-21-23-24(22-19)12-18(25)20-16-9-10-27-17-8-3-2-7-15(16)17/h2-8,11,16H,9-10,12H2,1H3,(H,20,25)
InChIKeyRSNWREPQTLGRCK-UHFFFAOYSA-N
XLogP1.99
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide (CID 110243309) is N-(3,4-dihydro-2H-chromen-4-yl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-yl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-yl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide is COc1cccc(-c2nnn(CC(=O)NC3CCOc4ccccc43)n2)c1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-yl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide?
The InChIKey is RSNWREPQTLGRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-26-14-6-4-5-13(11-14)19-21-23-24(22-19)12-18(25)20-16-9-10-27-17-8-3-2-7-15(16)17/h2-8,11,16H,9-10,12H2,1H3,(H,20,25).
What are the key properties of N-(3,4-dihydro-2H-chromen-4-yl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide?
N-(3,4-dihydro-2H-chromen-4-yl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide has a molecular weight of 365.39 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-4-yl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 110243309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).