(2S)-N-ethyl-2-[[2-(5-oxo-4-phenyltetrazol-1-yl)acetyl]amino]propanamide

C14H18N6O3 — CID 9379983

IUPAC(2S)-N-ethyl-2-[[2-(5-oxo-4-phenyltetrazol-1-yl)acetyl]amino]propanamide
SMILESCCNC(=O)[C@H](C)NC(=O)Cn1nnn(-c2ccccc2)c1=O
InChIInChI=1S/C14H18N6O3/c1-3-15-13(22)10(2)16-12(21)9-19-14(23)20(18-17-19)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H,15,22)(H,16,21)/t10-/m0/s1
InChIKeyBAWFTODPPLNOAG-JTQLQIEISA-N
MW318.34 g/mol
LogP-0.93
Rot. Bonds6

About (2S)-N-ethyl-2-[[2-(5-oxo-4-phenyltetrazol-1-yl)acetyl]amino]propanamide

(2S)-N-ethyl-2-[[2-(5-oxo-4-phenyltetrazol-1-yl)acetyl]amino]propanamide (PubChem CID 9379983) has the molecular formula C14H18N6O3 and a molecular weight of 318.34 g/mol. Its IUPAC name is (2S)-N-ethyl-2-[[2-(5-oxo-4-phenyltetrazol-1-yl)acetyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N-ethyl-2-[[2-(5-oxo-4-phenyltetrazol-1-yl)acetyl]amino]propanamide
PubChem CID9379983
Molecular FormulaC14H18N6O3
Molecular Weight318.34 g/mol
Exact Mass318.14
IUPAC Name(2S)-N-ethyl-2-[[2-(5-oxo-4-phenyltetrazol-1-yl)acetyl]amino]propanamide
SMILESCCNC(=O)[C@H](C)NC(=O)Cn1nnn(-c2ccccc2)c1=O
InChIInChI=1S/C14H18N6O3/c1-3-15-13(22)10(2)16-12(21)9-19-14(23)20(18-17-19)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H,15,22)(H,16,21)/t10-/m0/s1
InChIKeyBAWFTODPPLNOAG-JTQLQIEISA-N
XLogP-0.93
TPSA110.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(5-oxo-4-phenyltetrazol-1-yl)-N-(propan-2-ylcarbamoyl)acetamide
CID 17408499
N-(2-methyl-1-thiophen-2-ylpropyl)-2-(5-oxo-4-phenyltetrazol-1-yl)acetamide
CID 24572333
(2R)-2-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]amino]-N-ethylpropanamide
CID 9470539
methyl 4-[[2-(5-oxo-4-phenyltetrazol-1-yl)acetyl]amino]butanoate
CID 24519768
(2S)-2-(benzotriazol-2-yl)-N-[2-(5-oxo-4-phenyltetrazol-1-yl)ethyl]propanamide
CID 51494712
(2S)-2-[[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]amino]-N-ethylpropanamide
CID 9470737
1-(2-aminobutyl)-4-phenyltetrazol-5-one
CID 23607800
(2R)-2-[[2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-ethylpropanamide
CID 8843036
N-(1-adamantyl)-2-(5-oxo-4-phenyltetrazol-1-yl)acetamide
CID 17402328
N-ethyl-2-[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]propanamide
CID 71944277
N-[[(2S)-oxolan-2-yl]methyl]-2-(5-oxo-4-phenyltetrazol-1-yl)acetamide
CID 9379923
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-4-(5-phenyltetrazol-2-yl)butanamide
CID 95295934

Frequently Asked Questions

What is the IUPAC name of (2S)-N-ethyl-2-[[2-(5-oxo-4-phenyltetrazol-1-yl)acetyl]amino]propanamide?
The IUPAC name of (2S)-N-ethyl-2-[[2-(5-oxo-4-phenyltetrazol-1-yl)acetyl]amino]propanamide (CID 9379983) is (2S)-N-ethyl-2-[[2-(5-oxo-4-phenyltetrazol-1-yl)acetyl]amino]propanamide.
What is the SMILES notation for (2S)-N-ethyl-2-[[2-(5-oxo-4-phenyltetrazol-1-yl)acetyl]amino]propanamide?
The canonical SMILES for (2S)-N-ethyl-2-[[2-(5-oxo-4-phenyltetrazol-1-yl)acetyl]amino]propanamide is CCNC(=O)[C@H](C)NC(=O)Cn1nnn(-c2ccccc2)c1=O.
What is the InChIKey of (2S)-N-ethyl-2-[[2-(5-oxo-4-phenyltetrazol-1-yl)acetyl]amino]propanamide?
The InChIKey is BAWFTODPPLNOAG-JTQLQIEISA-N. The full InChI is InChI=1S/C14H18N6O3/c1-3-15-13(22)10(2)16-12(21)9-19-14(23)20(18-17-19)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H,15,22)(H,16,21)/t10-/m0/s1.
What are the key properties of (2S)-N-ethyl-2-[[2-(5-oxo-4-phenyltetrazol-1-yl)acetyl]amino]propanamide?
(2S)-N-ethyl-2-[[2-(5-oxo-4-phenyltetrazol-1-yl)acetyl]amino]propanamide has a molecular weight of 318.34 g/mol, XLogP of -0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-ethyl-2-[[2-(5-oxo-4-phenyltetrazol-1-yl)acetyl]amino]propanamide is sourced from PubChem (CID 9379983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).