N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-4-[(5-methyltetrazol-1-yl)methyl]benzamide

C20H21N5O2 — CID 74243443

IUPACN-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-4-[(5-methyltetrazol-1-yl)methyl]benzamide
SMILESCc1nnnn1Cc1ccc(C(=O)NC[C@H]2CCc3ccccc3O2)cc1
InChIInChI=1S/C20H21N5O2/c1-14-22-23-24-25(14)13-15-6-8-17(9-7-15)20(26)21-12-18-11-10-16-4-2-3-5-19(16)27-18/h2-9,18H,10-13H2,1H3,(H,21,26)/t18-/m1/s1
InChIKeyFTYIRCZGUKIBTL-GOSISDBHSA-N
MW363.42 g/mol
LogP2.15
Rot. Bonds5

About N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-4-[(5-methyltetrazol-1-yl)methyl]benzamide

N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-4-[(5-methyltetrazol-1-yl)methyl]benzamide (PubChem CID 74243443) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-4-[(5-methyltetrazol-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-4-[(5-methyltetrazol-1-yl)methyl]benzamide
PubChem CID74243443
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC NameN-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-4-[(5-methyltetrazol-1-yl)methyl]benzamide
SMILESCc1nnnn1Cc1ccc(C(=O)NC[C@H]2CCc3ccccc3O2)cc1
InChIInChI=1S/C20H21N5O2/c1-14-22-23-24-25(14)13-15-6-8-17(9-7-15)20(26)21-12-18-11-10-16-4-2-3-5-19(16)27-18/h2-9,18H,10-13H2,1H3,(H,21,26)/t18-/m1/s1
InChIKeyFTYIRCZGUKIBTL-GOSISDBHSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide
CID 77082448
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CID 70739570
N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide
CID 42363556
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-hydroxy-4-methylbenzamide
CID 62232665
4-[(5-methyltetrazol-1-yl)methyl]-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzamide
CID 131901999
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
CID 55621178
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CID 74241623
5-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)furan-2-carboxamide
CID 46400999
ethyl 4-[(5-methyltetrazol-1-yl)methyl]benzoate
CID 90642861
N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-[(5-methyltetrazol-1-yl)methyl]benzamide
CID 119071922
N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-2-(3,5-dimethylpyrazolidin-4-yl)acetamide
CID 134128099
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-(piperidin-1-ylmethyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-4-[(5-methyltetrazol-1-yl)methyl]benzamide?
The IUPAC name of N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-4-[(5-methyltetrazol-1-yl)methyl]benzamide (CID 74243443) is N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-4-[(5-methyltetrazol-1-yl)methyl]benzamide.
What is the SMILES notation for N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-4-[(5-methyltetrazol-1-yl)methyl]benzamide?
The canonical SMILES for N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-4-[(5-methyltetrazol-1-yl)methyl]benzamide is Cc1nnnn1Cc1ccc(C(=O)NC[C@H]2CCc3ccccc3O2)cc1.
What is the InChIKey of N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-4-[(5-methyltetrazol-1-yl)methyl]benzamide?
The InChIKey is FTYIRCZGUKIBTL-GOSISDBHSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-14-22-23-24-25(14)13-15-6-8-17(9-7-15)20(26)21-12-18-11-10-16-4-2-3-5-19(16)27-18/h2-9,18H,10-13H2,1H3,(H,21,26)/t18-/m1/s1.
What are the key properties of N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-4-[(5-methyltetrazol-1-yl)methyl]benzamide?
N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-4-[(5-methyltetrazol-1-yl)methyl]benzamide has a molecular weight of 363.42 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-4-[(5-methyltetrazol-1-yl)methyl]benzamide is sourced from PubChem (CID 74243443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).