2-oxo-N-[2-phenyl-1-(2H-tetrazol-5-yl)ethyl]butanamide

C13H15N5O2 — CID 70868647

IUPAC2-oxo-N-[2-phenyl-1-(2H-tetrazol-5-yl)ethyl]butanamide
SMILESCCC(=O)C(=O)NC(Cc1ccccc1)c1nn[nH]n1
InChIInChI=1S/C13H15N5O2/c1-2-11(19)13(20)14-10(12-15-17-18-16-12)8-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H,14,20)(H,15,16,17,18)
InChIKeyNGBZMIPTOZALMJ-UHFFFAOYSA-N
MW273.30 g/mol
LogP0.58
Rot. Bonds6

About 2-oxo-N-[2-phenyl-1-(2H-tetrazol-5-yl)ethyl]butanamide

2-oxo-N-[2-phenyl-1-(2H-tetrazol-5-yl)ethyl]butanamide (PubChem CID 70868647) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 2-oxo-N-[2-phenyl-1-(2H-tetrazol-5-yl)ethyl]butanamide.

Molecular Properties

Compound Name2-oxo-N-[2-phenyl-1-(2H-tetrazol-5-yl)ethyl]butanamide
PubChem CID70868647
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name2-oxo-N-[2-phenyl-1-(2H-tetrazol-5-yl)ethyl]butanamide
SMILESCCC(=O)C(=O)NC(Cc1ccccc1)c1nn[nH]n1
InChIInChI=1S/C13H15N5O2/c1-2-11(19)13(20)14-10(12-15-17-18-16-12)8-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H,14,20)(H,15,16,17,18)
InChIKeyNGBZMIPTOZALMJ-UHFFFAOYSA-N
XLogP0.58
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[2-phenyl-1-(2H-tetrazol-5-yl)ethyl]propan-2-amine
CID 123160214
[3-phenyl-1-(2H-tetrazol-5-yl)propyl]carbamic acid
CID 22626937
(2R)-2-[(1S)-2-phenyl-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid
CID 118499935
[(1R)-2-phenylmethoxy-1-(2H-tetrazol-5-yl)ethyl]carbamic acid
CID 118308786
tert-butyl N-[(1S)-2-(4-chlorophenyl)-1-(2H-tetrazol-5-yl)ethyl]carbamate
CID 135255285
2-[(1S)-2-phenyl-1-(2H-tetrazol-5-yl)ethyl]heptanedioic acid
CID 118499889
1-phenyl-N-[1-(2H-tetrazol-5-yl)ethyl]butan-2-amine
CID 79007809
6-hydroxy-2-[2-phenyl-1-(2H-tetrazol-5-yl)ethyl]hexanoic acid
CID 123390760
ethane;5-(1-methoxy-2-phenylethyl)-2H-tetrazole
CID 178128816
tert-butyl N-[(2R,3S)-3-hydroxy-4-[[(1S)-3-methyl-1-(2H-tetrazol-5-yl)butyl]amino]-4-oxo-1-phenylbutan-2-yl]carbamate
CID 172569198
2-phenylsulfanyl-N-[1-(2H-tetrazol-5-yl)butyl]butanamide
CID 166237134
3-phenyl-3-(2H-tetrazol-5-yl)propanoic acid
CID 82127283

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[2-phenyl-1-(2H-tetrazol-5-yl)ethyl]butanamide?
The IUPAC name of 2-oxo-N-[2-phenyl-1-(2H-tetrazol-5-yl)ethyl]butanamide (CID 70868647) is 2-oxo-N-[2-phenyl-1-(2H-tetrazol-5-yl)ethyl]butanamide.
What is the SMILES notation for 2-oxo-N-[2-phenyl-1-(2H-tetrazol-5-yl)ethyl]butanamide?
The canonical SMILES for 2-oxo-N-[2-phenyl-1-(2H-tetrazol-5-yl)ethyl]butanamide is CCC(=O)C(=O)NC(Cc1ccccc1)c1nn[nH]n1.
What is the InChIKey of 2-oxo-N-[2-phenyl-1-(2H-tetrazol-5-yl)ethyl]butanamide?
The InChIKey is NGBZMIPTOZALMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-2-11(19)13(20)14-10(12-15-17-18-16-12)8-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H,14,20)(H,15,16,17,18).
What are the key properties of 2-oxo-N-[2-phenyl-1-(2H-tetrazol-5-yl)ethyl]butanamide?
2-oxo-N-[2-phenyl-1-(2H-tetrazol-5-yl)ethyl]butanamide has a molecular weight of 273.30 g/mol, XLogP of 0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[2-phenyl-1-(2H-tetrazol-5-yl)ethyl]butanamide is sourced from PubChem (CID 70868647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).