N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide

C19H19N5O3 — CID 99981768

IUPACN-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide
SMILESO=C(COc1ccc(-n2cnnn2)cc1)NC[C@@H]1OCCc2ccccc21
InChIInChI=1S/C19H19N5O3/c25-19(20-11-18-17-4-2-1-3-14(17)9-10-26-18)12-27-16-7-5-15(6-8-16)24-13-21-22-23-24/h1-8,13,18H,9-12H2,(H,20,25)/t18-/m0/s1
InChIKeyWIBLHHHUCBMPOY-SFHVURJKSA-N
MW365.39 g/mol
LogP1.47
Rot. Bonds6

About N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide

N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide (PubChem CID 99981768) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide
PubChem CID99981768
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC NameN-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide
SMILESO=C(COc1ccc(-n2cnnn2)cc1)NC[C@@H]1OCCc2ccccc21
InChIInChI=1S/C19H19N5O3/c25-19(20-11-18-17-4-2-1-3-14(17)9-10-26-18)12-27-16-7-5-15(6-8-16)24-13-21-22-23-24/h1-8,13,18H,9-12H2,(H,20,25)/t18-/m0/s1
InChIKeyWIBLHHHUCBMPOY-SFHVURJKSA-N
XLogP1.47
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 46810970
N-prop-2-ynyl-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 40769610
N-cyclohexyl-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 2090380
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(tetrazol-1-yl)phenoxy]ethanone
CID 2473402
N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 131681349
N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 124757992
2-(4-phenoxyphenoxy)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55500018
N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-2-pyridin-3-ylacetamide
CID 99957581
N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-N'-(4-methoxyphenyl)oxamide
CID 40918392
N'-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N-(2-phenylethyl)oxamide
CID 3146898
N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-2-oxo-2-pyrrolidin-1-ylacetamide
CID 7270613
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-morpholin-4-ylpropanamide
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Frequently Asked Questions

What is the IUPAC name of N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide?
The IUPAC name of N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide (CID 99981768) is N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide.
What is the SMILES notation for N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide?
The canonical SMILES for N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide is O=C(COc1ccc(-n2cnnn2)cc1)NC[C@@H]1OCCc2ccccc21.
What is the InChIKey of N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide?
The InChIKey is WIBLHHHUCBMPOY-SFHVURJKSA-N. The full InChI is InChI=1S/C19H19N5O3/c25-19(20-11-18-17-4-2-1-3-14(17)9-10-26-18)12-27-16-7-5-15(6-8-16)24-13-21-22-23-24/h1-8,13,18H,9-12H2,(H,20,25)/t18-/m0/s1.
What are the key properties of N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide?
N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide has a molecular weight of 365.39 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide is sourced from PubChem (CID 99981768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).