(2S)-N-(3-ethoxypropyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]propanamide

C15H20FN5O2 — CID 38958525

IUPAC(2S)-N-(3-ethoxypropyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]propanamide
SMILESCCOCCCNC(=O)[C@H](C)n1nnc(-c2cccc(F)c2)n1
InChIInChI=1S/C15H20FN5O2/c1-3-23-9-5-8-17-15(22)11(2)21-19-14(18-20-21)12-6-4-7-13(16)10-12/h4,6-7,10-11H,3,5,8-9H2,1-2H3,(H,17,22)/t11-/m0/s1
InChIKeyRUYNGMKJFGCBHG-NSHDSACASA-N
MW321.36 g/mol
LogP1.58
Rot. Bonds8

About (2S)-N-(3-ethoxypropyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]propanamide

(2S)-N-(3-ethoxypropyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]propanamide (PubChem CID 38958525) has the molecular formula C15H20FN5O2 and a molecular weight of 321.36 g/mol. Its IUPAC name is (2S)-N-(3-ethoxypropyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(3-ethoxypropyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]propanamide
PubChem CID38958525
Molecular FormulaC15H20FN5O2
Molecular Weight321.36 g/mol
Exact Mass321.16
IUPAC Name(2S)-N-(3-ethoxypropyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]propanamide
SMILESCCOCCCNC(=O)[C@H](C)n1nnc(-c2cccc(F)c2)n1
InChIInChI=1S/C15H20FN5O2/c1-3-23-9-5-8-17-15(22)11(2)21-19-14(18-20-21)12-6-4-7-13(16)10-12/h4,6-7,10-11H,3,5,8-9H2,1-2H3,(H,17,22)/t11-/m0/s1
InChIKeyRUYNGMKJFGCBHG-NSHDSACASA-N
XLogP1.58
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-methylpropylcarbamoyl)propanamide
CID 46583399
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3-ethoxypropyl)butanamide
CID 51253386
N-[3-(methylamino)propyl]-2-(5-phenyltetrazol-2-yl)propanamide
CID 119434349
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]propanamide
CID 43024305
N-[2-(methylamino)ethyl]-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride
CID 119504464
2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-methylpropyl)acetamide
CID 30823164
2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-phenoxyethyl)acetamide
CID 8586996
(2S)-N-cyclopropyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide
CID 30396293
N-(3-ethoxypropyl)-2-(3-methylpyrazol-1-yl)propanamide
CID 19537121
N-[(1R)-1-cyclopropylethyl]-2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide
CID 41436763
N-(3-ethoxypropyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 134038228
2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-methylbutan-2-yl)acetamide
CID 17405916

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-ethoxypropyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]propanamide?
The IUPAC name of (2S)-N-(3-ethoxypropyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]propanamide (CID 38958525) is (2S)-N-(3-ethoxypropyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]propanamide.
What is the SMILES notation for (2S)-N-(3-ethoxypropyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]propanamide?
The canonical SMILES for (2S)-N-(3-ethoxypropyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]propanamide is CCOCCCNC(=O)[C@H](C)n1nnc(-c2cccc(F)c2)n1.
What is the InChIKey of (2S)-N-(3-ethoxypropyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]propanamide?
The InChIKey is RUYNGMKJFGCBHG-NSHDSACASA-N. The full InChI is InChI=1S/C15H20FN5O2/c1-3-23-9-5-8-17-15(22)11(2)21-19-14(18-20-21)12-6-4-7-13(16)10-12/h4,6-7,10-11H,3,5,8-9H2,1-2H3,(H,17,22)/t11-/m0/s1.
What are the key properties of (2S)-N-(3-ethoxypropyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]propanamide?
(2S)-N-(3-ethoxypropyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]propanamide has a molecular weight of 321.36 g/mol, XLogP of 1.58, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-ethoxypropyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]propanamide is sourced from PubChem (CID 38958525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).