3-(ethylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide

C12H16N6O — CID 62832165

IUPAC3-(ethylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
SMILESCCNCCC(=O)Nc1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C12H16N6O/c1-2-13-7-6-11(19)14-10-5-3-4-9(8-10)12-15-17-18-16-12/h3-5,8,13H,2,6-7H2,1H3,(H,14,19)(H,15,16,17,18)
InChIKeyAXLJPHCLROUOBO-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.80
Rot. Bonds6

About 3-(ethylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide

3-(ethylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide (PubChem CID 62832165) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is 3-(ethylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(ethylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
PubChem CID62832165
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name3-(ethylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
SMILESCCNCCC(=O)Nc1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C12H16N6O/c1-2-13-7-6-11(19)14-10-5-3-4-9(8-10)12-15-17-18-16-12/h3-5,8,13H,2,6-7H2,1H3,(H,14,19)(H,15,16,17,18)
InChIKeyAXLJPHCLROUOBO-UHFFFAOYSA-N
XLogP0.80
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(propan-2-ylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 60852912
4-(methylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]butanamide
CID 60842609
3-(2-methylphenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 110720294
ethyl N-[3-(2H-tetrazol-5-yl)phenyl]carbamate
CID 17164270
N-[3-(2H-tetrazol-5-yl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958210
2-(3,4-dimethoxyphenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide
CID 110743282
3-[3-(ethylamino)propanoylamino]benzoic acid
CID 62835721
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 155946246
2-(1-hydroxycyclopentyl)-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide
CID 111536432
2-(methylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 62639485
3-bromo-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
CID 17126994
3-amino-2-methyl-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 55104793

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide?
The IUPAC name of 3-(ethylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide (CID 62832165) is 3-(ethylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide.
What is the SMILES notation for 3-(ethylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide?
The canonical SMILES for 3-(ethylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide is CCNCCC(=O)Nc1cccc(-c2nn[nH]n2)c1.
What is the InChIKey of 3-(ethylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide?
The InChIKey is AXLJPHCLROUOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c1-2-13-7-6-11(19)14-10-5-3-4-9(8-10)12-15-17-18-16-12/h3-5,8,13H,2,6-7H2,1H3,(H,14,19)(H,15,16,17,18).
What are the key properties of 3-(ethylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide?
3-(ethylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide has a molecular weight of 260.30 g/mol, XLogP of 0.80, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide is sourced from PubChem (CID 62832165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).