3-[4-(dimethylamino)phenyl]-N-[4-(tetrazol-1-yl)phenyl]propanamide

C18H20N6O — CID 24555376

IUPAC3-[4-(dimethylamino)phenyl]-N-[4-(tetrazol-1-yl)phenyl]propanamide
SMILESCN(C)c1ccc(CCC(=O)Nc2ccc(-n3cnnn3)cc2)cc1
InChIInChI=1S/C18H20N6O/c1-23(2)16-8-3-14(4-9-16)5-12-18(25)20-15-6-10-17(11-7-15)24-13-19-21-22-24/h3-4,6-11,13H,5,12H2,1-2H3,(H,20,25)
InChIKeyDSAJWZZSCWJMDB-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.30
Rot. Bonds6

About 3-[4-(dimethylamino)phenyl]-N-[4-(tetrazol-1-yl)phenyl]propanamide

3-[4-(dimethylamino)phenyl]-N-[4-(tetrazol-1-yl)phenyl]propanamide (PubChem CID 24555376) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 3-[4-(dimethylamino)phenyl]-N-[4-(tetrazol-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-[4-(dimethylamino)phenyl]-N-[4-(tetrazol-1-yl)phenyl]propanamide
PubChem CID24555376
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name3-[4-(dimethylamino)phenyl]-N-[4-(tetrazol-1-yl)phenyl]propanamide
SMILESCN(C)c1ccc(CCC(=O)Nc2ccc(-n3cnnn3)cc2)cc1
InChIInChI=1S/C18H20N6O/c1-23(2)16-8-3-14(4-9-16)5-12-18(25)20-15-6-10-17(11-7-15)24-13-19-21-22-24/h3-4,6-11,13H,5,12H2,1-2H3,(H,20,25)
InChIKeyDSAJWZZSCWJMDB-UHFFFAOYSA-N
XLogP2.30
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[4-(tetrazol-1-yl)phenyl]propanamide
CID 43167870
N-[4-(tetrazol-1-yl)phenyl]hexanamide
CID 18083677
3-[4-(tetrazol-1-yl)phenyl]-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 56763325
N-[4-(dimethylamino)phenyl]-3-phenylpropanamide
CID 874810
5-bromo-N-[4-(tetrazol-1-yl)phenyl]pentanamide
CID 114014593
4-[3-[4-(dimethylamino)anilino]-3-oxopropyl]-N-hydroxybenzamide
CID 142672672
3-(4-ethylphenyl)-N-[3-(tetrazol-1-yl)phenyl]propanamide
CID 31891602
2-(3,4-dimethylphenyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 18079837
N-[4-[methoxy(methyl)sulfamoyl]phenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55633392
N-(4-ethylphenyl)-4-(tetrazol-1-yl)benzamide
CID 7465186
3-amino-N-[4-(tetrazol-1-yl)phenyl]butanamide
CID 61260719
3-(4-fluorophenyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide
CID 134044042

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)phenyl]-N-[4-(tetrazol-1-yl)phenyl]propanamide?
The IUPAC name of 3-[4-(dimethylamino)phenyl]-N-[4-(tetrazol-1-yl)phenyl]propanamide (CID 24555376) is 3-[4-(dimethylamino)phenyl]-N-[4-(tetrazol-1-yl)phenyl]propanamide.
What is the SMILES notation for 3-[4-(dimethylamino)phenyl]-N-[4-(tetrazol-1-yl)phenyl]propanamide?
The canonical SMILES for 3-[4-(dimethylamino)phenyl]-N-[4-(tetrazol-1-yl)phenyl]propanamide is CN(C)c1ccc(CCC(=O)Nc2ccc(-n3cnnn3)cc2)cc1.
What is the InChIKey of 3-[4-(dimethylamino)phenyl]-N-[4-(tetrazol-1-yl)phenyl]propanamide?
The InChIKey is DSAJWZZSCWJMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-23(2)16-8-3-14(4-9-16)5-12-18(25)20-15-6-10-17(11-7-15)24-13-19-21-22-24/h3-4,6-11,13H,5,12H2,1-2H3,(H,20,25).
What are the key properties of 3-[4-(dimethylamino)phenyl]-N-[4-(tetrazol-1-yl)phenyl]propanamide?
3-[4-(dimethylamino)phenyl]-N-[4-(tetrazol-1-yl)phenyl]propanamide has a molecular weight of 336.40 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)phenyl]-N-[4-(tetrazol-1-yl)phenyl]propanamide is sourced from PubChem (CID 24555376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).