2-[5-(2-methylphenyl)tetrazol-2-yl]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide

C22H25N5O — CID 9451024

IUPAC2-[5-(2-methylphenyl)tetrazol-2-yl]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
SMILESCc1ccccc1-c1nnn(CC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)n1
InChIInChI=1S/C22H25N5O/c1-15-7-3-6-10-20(15)22-24-26-27(25-22)14-21(28)23-16(2)18-12-11-17-8-4-5-9-19(17)13-18/h3,6-7,10-13,16H,4-5,8-9,14H2,1-2H3,(H,23,28)/t16-/m1/s1
InChIKeyQAAJDXDXKBQZLO-MRXNPFEDSA-N
MW375.48 g/mol
LogP3.40
Rot. Bonds5

About 2-[5-(2-methylphenyl)tetrazol-2-yl]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide

2-[5-(2-methylphenyl)tetrazol-2-yl]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide (PubChem CID 9451024) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 2-[5-(2-methylphenyl)tetrazol-2-yl]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[5-(2-methylphenyl)tetrazol-2-yl]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
PubChem CID9451024
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name2-[5-(2-methylphenyl)tetrazol-2-yl]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
SMILESCc1ccccc1-c1nnn(CC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)n1
InChIInChI=1S/C22H25N5O/c1-15-7-3-6-10-20(15)22-24-26-27(25-22)14-21(28)23-16(2)18-12-11-17-8-4-5-9-19(17)13-18/h3,6-7,10-13,16H,4-5,8-9,14H2,1-2H3,(H,23,28)/t16-/m1/s1
InChIKeyQAAJDXDXKBQZLO-MRXNPFEDSA-N
XLogP3.40
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(2-methylphenyl)tetrazol-2-yl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 8685269
N-[(1R)-1-(4-methylphenyl)propyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7350149
2-[5-(2-methylphenyl)tetrazol-2-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 3265449
N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 7634209
N-[(1R)-1-phenylethyl]-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 7589016
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 7713103
2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 7490847
3-(1,3-dioxoisoindol-2-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 2939362
N-(methylcarbamoyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7634824
2-(4-benzoylpiperazin-1-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 84913276
2-(3-cyano-1,2,4-triazol-4-yl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 94477310
N-(2,3-dihydro-1H-inden-5-yl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 7489486

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-methylphenyl)tetrazol-2-yl]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide?
The IUPAC name of 2-[5-(2-methylphenyl)tetrazol-2-yl]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide (CID 9451024) is 2-[5-(2-methylphenyl)tetrazol-2-yl]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-[5-(2-methylphenyl)tetrazol-2-yl]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide?
The canonical SMILES for 2-[5-(2-methylphenyl)tetrazol-2-yl]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide is Cc1ccccc1-c1nnn(CC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)n1.
What is the InChIKey of 2-[5-(2-methylphenyl)tetrazol-2-yl]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide?
The InChIKey is QAAJDXDXKBQZLO-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H25N5O/c1-15-7-3-6-10-20(15)22-24-26-27(25-22)14-21(28)23-16(2)18-12-11-17-8-4-5-9-19(17)13-18/h3,6-7,10-13,16H,4-5,8-9,14H2,1-2H3,(H,23,28)/t16-/m1/s1.
What are the key properties of 2-[5-(2-methylphenyl)tetrazol-2-yl]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide?
2-[5-(2-methylphenyl)tetrazol-2-yl]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide has a molecular weight of 375.48 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-methylphenyl)tetrazol-2-yl]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide is sourced from PubChem (CID 9451024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).