N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-phenyl-2-(tetrazol-1-yl)acetamide

C19H19N5O2 — CID 91789332

IUPACN-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-phenyl-2-(tetrazol-1-yl)acetamide
SMILESO=C(NCc1ccc2c(c1)CCCO2)C(c1ccccc1)n1cnnn1
InChIInChI=1S/C19H19N5O2/c25-19(18(24-13-21-22-23-24)15-5-2-1-3-6-15)20-12-14-8-9-17-16(11-14)7-4-10-26-17/h1-3,5-6,8-9,11,13,18H,4,7,10,12H2,(H,20,25)
InChIKeyRPNKUOAFKJTIRN-UHFFFAOYSA-N
MW349.39 g/mol
LogP1.90
Rot. Bonds5

About N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-phenyl-2-(tetrazol-1-yl)acetamide

N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-phenyl-2-(tetrazol-1-yl)acetamide (PubChem CID 91789332) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-phenyl-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-phenyl-2-(tetrazol-1-yl)acetamide
PubChem CID91789332
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC NameN-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-phenyl-2-(tetrazol-1-yl)acetamide
SMILESO=C(NCc1ccc2c(c1)CCCO2)C(c1ccccc1)n1cnnn1
InChIInChI=1S/C19H19N5O2/c25-19(18(24-13-21-22-23-24)15-5-2-1-3-6-15)20-12-14-8-9-17-16(11-14)7-4-10-26-17/h1-3,5-6,8-9,11,13,18H,4,7,10,12H2,(H,20,25)
InChIKeyRPNKUOAFKJTIRN-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-methyl-1H-indol-5-yl)methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
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1-(difluoromethyl)-N-(3,4-dihydro-2H-chromen-6-ylmethyl)pyrazole-3-carboxamide
CID 91792056
3-amino-N-(3,4-dihydro-2H-chromen-6-ylmethyl)propanamide
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N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-(dimethylamino)-2-(4-fluorophenyl)acetamide
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2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-2-oxoacetic acid
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(2S)-2-phenyl-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]-2-(tetrazol-1-yl)acetamide
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tert-butyl N-[2-[[(2R)-2-phenyl-2-(tetrazol-1-yl)acetyl]amino]ethyl]carbamate
CID 97266583
N-(3,4-dihydro-2H-chromen-6-ylmethyl)cyclobutanecarboxamide
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N-(4-carbamimidoylphenyl)-2-phenyl-N'-(2,3,4,5-tetrahydro-1-benzoxepin-7-ylmethyl)propanediamide
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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-phenyl-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-phenyl-2-(tetrazol-1-yl)acetamide (CID 91789332) is N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-phenyl-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-phenyl-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-phenyl-2-(tetrazol-1-yl)acetamide is O=C(NCc1ccc2c(c1)CCCO2)C(c1ccccc1)n1cnnn1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-phenyl-2-(tetrazol-1-yl)acetamide?
The InChIKey is RPNKUOAFKJTIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c25-19(18(24-13-21-22-23-24)15-5-2-1-3-6-15)20-12-14-8-9-17-16(11-14)7-4-10-26-17/h1-3,5-6,8-9,11,13,18H,4,7,10,12H2,(H,20,25).
What are the key properties of N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-phenyl-2-(tetrazol-1-yl)acetamide?
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-phenyl-2-(tetrazol-1-yl)acetamide has a molecular weight of 349.39 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-phenyl-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 91789332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).