N-[(1S)-1-naphthalen-2-ylethyl]-2-(tetrazol-1-yl)acetamide

C15H15N5O — CID 51513287

IUPACN-[(1S)-1-naphthalen-2-ylethyl]-2-(tetrazol-1-yl)acetamide
SMILESC[C@H](NC(=O)Cn1cnnn1)c1ccc2ccccc2c1
InChIInChI=1S/C15H15N5O/c1-11(17-15(21)9-20-10-16-18-19-20)13-7-6-12-4-2-3-5-14(12)8-13/h2-8,10-11H,9H2,1H3,(H,17,21)/t11-/m0/s1
InChIKeyLMCGRJWYBZCJKN-NSHDSACASA-N
MW281.32 g/mol
LogP1.70
Rot. Bonds4

About N-[(1S)-1-naphthalen-2-ylethyl]-2-(tetrazol-1-yl)acetamide

N-[(1S)-1-naphthalen-2-ylethyl]-2-(tetrazol-1-yl)acetamide (PubChem CID 51513287) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is N-[(1S)-1-naphthalen-2-ylethyl]-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-naphthalen-2-ylethyl]-2-(tetrazol-1-yl)acetamide
PubChem CID51513287
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC NameN-[(1S)-1-naphthalen-2-ylethyl]-2-(tetrazol-1-yl)acetamide
SMILESC[C@H](NC(=O)Cn1cnnn1)c1ccc2ccccc2c1
InChIInChI=1S/C15H15N5O/c1-11(17-15(21)9-20-10-16-18-19-20)13-7-6-12-4-2-3-5-14(12)8-13/h2-8,10-11H,9H2,1H3,(H,17,21)/t11-/m0/s1
InChIKeyLMCGRJWYBZCJKN-NSHDSACASA-N
XLogP1.70
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-naphthalen-2-ylethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 51149094
N-[(1S)-1-naphthalen-2-ylethyl]-2-[4,7,10-tris[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetamide
CID 102115111
N-[1-(4-sulfamoylphenyl)ethyl]-2-(tetrazol-1-yl)acetamide
CID 42905640
N-[1-(1H-pyrazol-4-yl)ethyl]-2-(tetrazol-1-yl)acetamide
CID 103855789
2-methyl-3-phenyl-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoic acid
CID 119218600
2-morpholin-4-yl-N-[(1R)-1-naphthalen-2-ylethyl]acetamide
CID 8903869
N-(1-naphthalen-2-ylethyl)hexanamide
CID 112762295
N-[(1S)-1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-2-(tetrazol-1-yl)acetamide
CID 94028872
2-[ethyl-[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide
CID 8906831
3-methyl-N-(1-naphthalen-2-ylethyl)but-3-enamide
CID 145167026
2-methoxy-N-(1-naphthalen-2-ylethyl)acetamide
CID 43011314
2-[4,7-bis[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
CID 100946770

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-naphthalen-2-ylethyl]-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-[(1S)-1-naphthalen-2-ylethyl]-2-(tetrazol-1-yl)acetamide (CID 51513287) is N-[(1S)-1-naphthalen-2-ylethyl]-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-[(1S)-1-naphthalen-2-ylethyl]-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-[(1S)-1-naphthalen-2-ylethyl]-2-(tetrazol-1-yl)acetamide is C[C@H](NC(=O)Cn1cnnn1)c1ccc2ccccc2c1.
What is the InChIKey of N-[(1S)-1-naphthalen-2-ylethyl]-2-(tetrazol-1-yl)acetamide?
The InChIKey is LMCGRJWYBZCJKN-NSHDSACASA-N. The full InChI is InChI=1S/C15H15N5O/c1-11(17-15(21)9-20-10-16-18-19-20)13-7-6-12-4-2-3-5-14(12)8-13/h2-8,10-11H,9H2,1H3,(H,17,21)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-naphthalen-2-ylethyl]-2-(tetrazol-1-yl)acetamide?
N-[(1S)-1-naphthalen-2-ylethyl]-2-(tetrazol-1-yl)acetamide has a molecular weight of 281.32 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-naphthalen-2-ylethyl]-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 51513287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).