N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide

C20H21N5O3 — CID 46970444

IUPACN-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide
SMILESCOc1cccc(-c2nnn(CC(=O)NCc3ccc4c(c3)CCCO4)n2)c1
InChIInChI=1S/C20H21N5O3/c1-27-17-6-2-4-16(11-17)20-22-24-25(23-20)13-19(26)21-12-14-7-8-18-15(10-14)5-3-9-28-18/h2,4,6-8,10-11H,3,5,9,12-13H2,1H3,(H,21,26)
InChIKeyNCMDQEOOXCGVJP-UHFFFAOYSA-N
MW379.42 g/mol
LogP1.99
Rot. Bonds6

About N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide

N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide (PubChem CID 46970444) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide
PubChem CID46970444
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC NameN-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide
SMILESCOc1cccc(-c2nnn(CC(=O)NCc3ccc4c(c3)CCCO4)n2)c1
InChIInChI=1S/C20H21N5O3/c1-27-17-6-2-4-16(11-17)20-22-24-25(23-20)13-19(26)21-12-14-7-8-18-15(10-14)5-3-9-28-18/h2,4,6-8,10-11H,3,5,9,12-13H2,1H3,(H,21,26)
InChIKeyNCMDQEOOXCGVJP-UHFFFAOYSA-N
XLogP1.99
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide
CID 36657784
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(3-methoxyphenyl)acetamide
CID 110787098
N-[(4-methoxyphenyl)methyl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 2115697
2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-(3-phenylpropyl)acetamide
CID 36657700
1-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-[5-(3-methoxyphenyl)tetrazol-2-yl]ethanone
CID 41176677
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 91831785
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-(2-methoxyphenoxy)acetamide
CID 110784239
4-[[2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-N,N-dimethylbenzamide
CID 55322701
N-[(3,4-dimethoxyphenyl)methyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 7995467
2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]acetamide
CID 46978123
N-(naphthalen-2-ylmethyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 75414451
2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 26676812

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide (CID 46970444) is N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide is COc1cccc(-c2nnn(CC(=O)NCc3ccc4c(c3)CCCO4)n2)c1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide?
The InChIKey is NCMDQEOOXCGVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-27-17-6-2-4-16(11-17)20-22-24-25(23-20)13-19(26)21-12-14-7-8-18-15(10-14)5-3-9-28-18/h2,4,6-8,10-11H,3,5,9,12-13H2,1H3,(H,21,26).
What are the key properties of N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide?
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide has a molecular weight of 379.42 g/mol, XLogP of 1.99, 6 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-6-ylmethyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 46970444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).