3-(ethylamino)-N-[2-(tetrazol-1-yl)phenyl]propanamide

C12H16N6O — CID 55121620

IUPAC3-(ethylamino)-N-[2-(tetrazol-1-yl)phenyl]propanamide
SMILESCCNCCC(=O)Nc1ccccc1-n1cnnn1
InChIInChI=1S/C12H16N6O/c1-2-13-8-7-12(19)15-10-5-3-4-6-11(10)18-9-14-16-17-18/h3-6,9,13H,2,7-8H2,1H3,(H,15,19)
InChIKeyGNNTWBRXIURAKT-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.60
Rot. Bonds6

About 3-(ethylamino)-N-[2-(tetrazol-1-yl)phenyl]propanamide

3-(ethylamino)-N-[2-(tetrazol-1-yl)phenyl]propanamide (PubChem CID 55121620) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is 3-(ethylamino)-N-[2-(tetrazol-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(ethylamino)-N-[2-(tetrazol-1-yl)phenyl]propanamide
PubChem CID55121620
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name3-(ethylamino)-N-[2-(tetrazol-1-yl)phenyl]propanamide
SMILESCCNCCC(=O)Nc1ccccc1-n1cnnn1
InChIInChI=1S/C12H16N6O/c1-2-13-8-7-12(19)15-10-5-3-4-6-11(10)18-9-14-16-17-18/h3-6,9,13H,2,7-8H2,1H3,(H,15,19)
InChIKeyGNNTWBRXIURAKT-UHFFFAOYSA-N
XLogP0.60
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(ethylamino)-N-(2-pyrazol-1-ylphenyl)propanamide
CID 62833081
5-amino-4-methyl-N-[2-(tetrazol-1-yl)phenyl]pentanamide
CID 82011021
2-(2-methoxyethylamino)-N-[2-(tetrazol-1-yl)phenyl]acetamide
CID 79282051
N-[2-(ethylamino)ethyl]-2-(tetrazol-1-yl)benzamide;hydrochloride
CID 119506175
(2S)-2-amino-4-methyl-N-[2-(tetrazol-1-yl)phenyl]pentanamide
CID 61180779
2-amino-4-methyl-N-[2-(tetrazol-1-yl)phenyl]pentanamide
CID 43706192
2-chloro-N-[2-(tetrazol-1-yl)phenyl]propanamide
CID 43698693
(2R)-2-amino-N-[2-(tetrazol-1-yl)phenyl]propanamide
CID 54995832
3-chloro-2-methyl-N-[2-(tetrazol-1-yl)phenyl]propanamide
CID 55110809
3-amino-2,2-dimethyl-N-[2-(tetrazol-1-yl)phenyl]propanamide
CID 115426234
(2S)-2-amino-N-[2-(tetrazol-1-yl)phenyl]hexanamide
CID 107144063
N-(2-chlorophenyl)-3-(ethylamino)propanamide
CID 62832290

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-[2-(tetrazol-1-yl)phenyl]propanamide?
The IUPAC name of 3-(ethylamino)-N-[2-(tetrazol-1-yl)phenyl]propanamide (CID 55121620) is 3-(ethylamino)-N-[2-(tetrazol-1-yl)phenyl]propanamide.
What is the SMILES notation for 3-(ethylamino)-N-[2-(tetrazol-1-yl)phenyl]propanamide?
The canonical SMILES for 3-(ethylamino)-N-[2-(tetrazol-1-yl)phenyl]propanamide is CCNCCC(=O)Nc1ccccc1-n1cnnn1.
What is the InChIKey of 3-(ethylamino)-N-[2-(tetrazol-1-yl)phenyl]propanamide?
The InChIKey is GNNTWBRXIURAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c1-2-13-8-7-12(19)15-10-5-3-4-6-11(10)18-9-14-16-17-18/h3-6,9,13H,2,7-8H2,1H3,(H,15,19).
What are the key properties of 3-(ethylamino)-N-[2-(tetrazol-1-yl)phenyl]propanamide?
3-(ethylamino)-N-[2-(tetrazol-1-yl)phenyl]propanamide has a molecular weight of 260.30 g/mol, XLogP of 0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-[2-(tetrazol-1-yl)phenyl]propanamide is sourced from PubChem (CID 55121620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).