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

C19H19N5O2 — CID 94142976

IUPACN-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESO=C(Cc1ccc(-n2cnnn2)cc1)NC[C@@H]1COc2ccccc2C1
InChIInChI=1S/C19H19N5O2/c25-19(10-14-5-7-17(8-6-14)24-13-21-22-23-24)20-11-15-9-16-3-1-2-4-18(16)26-12-15/h1-8,13,15H,9-12H2,(H,20,25)/t15-/m1/s1
InChIKeyTTWHEVYAVDUEIR-OAHLLOKOSA-N
MW349.39 g/mol
LogP1.57
Rot. Bonds5

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

N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide (PubChem CID 94142976) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
PubChem CID94142976
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC NameN-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESO=C(Cc1ccc(-n2cnnn2)cc1)NC[C@@H]1COc2ccccc2C1
InChIInChI=1S/C19H19N5O2/c25-19(10-14-5-7-17(8-6-14)24-13-21-22-23-24)20-11-15-9-16-3-1-2-4-18(16)26-12-15/h1-8,13,15H,9-12H2,(H,20,25)/t15-/m1/s1
InChIKeyTTWHEVYAVDUEIR-OAHLLOKOSA-N
XLogP1.57
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-2-[4-(5-methyltetrazol-1-yl)phenyl]acetamide
CID 97269669
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-(tetrazol-1-ylmethyl)benzamide
CID 72933785
N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(tetrazol-1-yl)benzamide
CID 97149544
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-naphthalen-2-ylacetamide
CID 51212134
N-[(2-phenylcyclopropyl)methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 71931856
N-[[(1R,2R)-2-phenylcyclopropyl]methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 97081594
N-[[(1S,2R)-2-phenylcyclopropyl]methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 97081592
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 96525299
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)-4-morpholin-4-ylbenzamide
CID 72860096
N-[[(4S)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methyl]-3-(tetrazol-1-yl)propanamide
CID 97190743
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 55514058

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The IUPAC name of N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide (CID 94142976) is N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide is O=C(Cc1ccc(-n2cnnn2)cc1)NC[C@@H]1COc2ccccc2C1.
What is the InChIKey of N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The InChIKey is TTWHEVYAVDUEIR-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H19N5O2/c25-19(10-14-5-7-17(8-6-14)24-13-21-22-23-24)20-11-15-9-16-3-1-2-4-18(16)26-12-15/h1-8,13,15H,9-12H2,(H,20,25)/t15-/m1/s1.
What are the key properties of N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide?
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide has a molecular weight of 349.39 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 94142976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).