2-ethyl-N-[3-(tetrazol-1-yl)phenyl]butanamide

C13H17N5O — CID 47097708

IUPAC2-ethyl-N-[3-(tetrazol-1-yl)phenyl]butanamide
SMILESCCC(CC)C(=O)Nc1cccc(-n2cnnn2)c1
InChIInChI=1S/C13H17N5O/c1-3-10(4-2)13(19)15-11-6-5-7-12(8-11)18-9-14-16-17-18/h5-10H,3-4H2,1-2H3,(H,15,19)
InChIKeyZZGUFTPGWIWPOA-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.04
Rot. Bonds5

About 2-ethyl-N-[3-(tetrazol-1-yl)phenyl]butanamide

2-ethyl-N-[3-(tetrazol-1-yl)phenyl]butanamide (PubChem CID 47097708) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-ethyl-N-[3-(tetrazol-1-yl)phenyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[3-(tetrazol-1-yl)phenyl]butanamide
PubChem CID47097708
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name2-ethyl-N-[3-(tetrazol-1-yl)phenyl]butanamide
SMILESCCC(CC)C(=O)Nc1cccc(-n2cnnn2)c1
InChIInChI=1S/C13H17N5O/c1-3-10(4-2)13(19)15-11-6-5-7-12(8-11)18-9-14-16-17-18/h5-10H,3-4H2,1-2H3,(H,15,19)
InChIKeyZZGUFTPGWIWPOA-UHFFFAOYSA-N
XLogP2.04
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-N-[3-(tetrazol-1-yl)phenyl]propanamide
CID 54991235
2,2-diphenyl-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 7694180
2-bromo-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 63681198
2-propan-2-yloxy-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 47418203
3-chloro-2,2-dimethyl-N-[3-(tetrazol-1-yl)phenyl]propanamide
CID 63679217
3-(4-ethylphenyl)-N-[3-(tetrazol-1-yl)phenyl]propanamide
CID 31891602
5-amino-4-methyl-N-[3-(tetrazol-1-yl)phenyl]pentanamide
CID 82012333
2-methyl-2-(methylamino)-N-[3-(tetrazol-1-yl)phenyl]propanamide
CID 62836405
2-(4-acetamidophenyl)-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 33001295
(2S)-N-phenyl-2-[3-(tetrazol-1-yl)phenoxy]propanamide
CID 7705759
(2R)-N-(3-chlorophenyl)-2-[3-(tetrazol-1-yl)phenoxy]propanamide
CID 7705700
2-amino-2-(oxan-4-yl)-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 120784046

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[3-(tetrazol-1-yl)phenyl]butanamide?
The IUPAC name of 2-ethyl-N-[3-(tetrazol-1-yl)phenyl]butanamide (CID 47097708) is 2-ethyl-N-[3-(tetrazol-1-yl)phenyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[3-(tetrazol-1-yl)phenyl]butanamide?
The canonical SMILES for 2-ethyl-N-[3-(tetrazol-1-yl)phenyl]butanamide is CCC(CC)C(=O)Nc1cccc(-n2cnnn2)c1.
What is the InChIKey of 2-ethyl-N-[3-(tetrazol-1-yl)phenyl]butanamide?
The InChIKey is ZZGUFTPGWIWPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-3-10(4-2)13(19)15-11-6-5-7-12(8-11)18-9-14-16-17-18/h5-10H,3-4H2,1-2H3,(H,15,19).
What are the key properties of 2-ethyl-N-[3-(tetrazol-1-yl)phenyl]butanamide?
2-ethyl-N-[3-(tetrazol-1-yl)phenyl]butanamide has a molecular weight of 259.31 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[3-(tetrazol-1-yl)phenyl]butanamide is sourced from PubChem (CID 47097708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).