N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-2-[4-(5-methyltetrazol-1-yl)phenyl]acetamide

C20H21N5O2 — CID 97269669

IUPACN-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-2-[4-(5-methyltetrazol-1-yl)phenyl]acetamide
SMILESCc1nnnn1-c1ccc(CC(=O)NC[C@H]2COc3ccccc3C2)cc1
InChIInChI=1S/C20H21N5O2/c1-14-22-23-24-25(14)18-8-6-15(7-9-18)11-20(26)21-12-16-10-17-4-2-3-5-19(17)27-13-16/h2-9,16H,10-13H2,1H3,(H,21,26)/t16-/m0/s1
InChIKeyAHHWUGNSUKRHIN-INIZCTEOSA-N
MW363.42 g/mol
LogP1.88
Rot. Bonds5

About N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-2-[4-(5-methyltetrazol-1-yl)phenyl]acetamide

N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-2-[4-(5-methyltetrazol-1-yl)phenyl]acetamide (PubChem CID 97269669) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-2-[4-(5-methyltetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-2-[4-(5-methyltetrazol-1-yl)phenyl]acetamide
PubChem CID97269669
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC NameN-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-2-[4-(5-methyltetrazol-1-yl)phenyl]acetamide
SMILESCc1nnnn1-c1ccc(CC(=O)NC[C@H]2COc3ccccc3C2)cc1
InChIInChI=1S/C20H21N5O2/c1-14-22-23-24-25(14)18-8-6-15(7-9-18)11-20(26)21-12-16-10-17-4-2-3-5-19(17)27-13-16/h2-9,16H,10-13H2,1H3,(H,21,26)/t16-/m0/s1
InChIKeyAHHWUGNSUKRHIN-INIZCTEOSA-N
XLogP1.88
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 94142976
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 47044966
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-naphthalen-2-ylacetamide
CID 51212134
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)benzamide
CID 55394774
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-methylbenzamide
CID 51211932
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-(3-methylpyrazol-1-yl)propanamide
CID 72875290
N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
CID 94232204
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-(tetrazol-1-ylmethyl)benzamide
CID 72933785
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-ethylsulfanylpropanamide
CID 72920738
1-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-ethylurea
CID 47117479
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 35422359
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-methylfuran-2-carboxamide
CID 51241210

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-2-[4-(5-methyltetrazol-1-yl)phenyl]acetamide?
The IUPAC name of N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-2-[4-(5-methyltetrazol-1-yl)phenyl]acetamide (CID 97269669) is N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-2-[4-(5-methyltetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-2-[4-(5-methyltetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-2-[4-(5-methyltetrazol-1-yl)phenyl]acetamide is Cc1nnnn1-c1ccc(CC(=O)NC[C@H]2COc3ccccc3C2)cc1.
What is the InChIKey of N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-2-[4-(5-methyltetrazol-1-yl)phenyl]acetamide?
The InChIKey is AHHWUGNSUKRHIN-INIZCTEOSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-14-22-23-24-25(14)18-8-6-15(7-9-18)11-20(26)21-12-16-10-17-4-2-3-5-19(17)27-13-16/h2-9,16H,10-13H2,1H3,(H,21,26)/t16-/m0/s1.
What are the key properties of N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-2-[4-(5-methyltetrazol-1-yl)phenyl]acetamide?
N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-2-[4-(5-methyltetrazol-1-yl)phenyl]acetamide has a molecular weight of 363.42 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-2-[4-(5-methyltetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 97269669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).