N-[4-(diethylamino)phenyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide

C19H22N6O2 — CID 2478154

IUPACN-[4-(diethylamino)phenyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide
SMILESCCN(CC)c1ccc(NC(=O)COc2ccc(-n3cnnn3)cc2)cc1
InChIInChI=1S/C19H22N6O2/c1-3-24(4-2)16-7-5-15(6-8-16)21-19(26)13-27-18-11-9-17(10-12-18)25-14-20-22-23-25/h5-12,14H,3-4,13H2,1-2H3,(H,21,26)
InChIKeyWWULICILVTWODO-UHFFFAOYSA-N
MW366.43 g/mol
LogP2.53
Rot. Bonds8

About N-[4-(diethylamino)phenyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide

N-[4-(diethylamino)phenyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide (PubChem CID 2478154) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide
PubChem CID2478154
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC NameN-[4-(diethylamino)phenyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide
SMILESCCN(CC)c1ccc(NC(=O)COc2ccc(-n3cnnn3)cc2)cc1
InChIInChI=1S/C19H22N6O2/c1-3-24(4-2)16-7-5-15(6-8-16)21-19(26)13-27-18-11-9-17(10-12-18)25-14-20-22-23-25/h5-12,14H,3-4,13H2,1-2H3,(H,21,26)
InChIKeyWWULICILVTWODO-UHFFFAOYSA-N
XLogP2.53
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(2-Chloro-phenyl)-2-(4-tetrazol-1-yl-phenoxy)-acetamide
CID 1080270
N-(2-Ethyl-phenyl)-2-(3-tetrazol-1-yl-phenoxy)-acetamide
CID 864036
N-(3-methoxyphenyl)-2-[3-(1H-tetraazol-1-yl)phenoxy]acetamide
CID 1140121
N-(3,4-Dimethyl-phenyl)-2-(4-tetrazol-1-yl-phenoxy)-acetamide
CID 886651
N-(3-chloro-4-fluorophenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 2519672
N-(4-Nitro-phenyl)-2-(3-tetrazol-1-yl-phenoxy)-acetamide
CID 3165713
N-(2-Methoxy-phenyl)-2-(3-tetrazol-1-yl-phenoxy)-acetamide
CID 647163
N-(2-Ethoxy-phenyl)-2-(3-tetrazol-1-yl-phenoxy)-acetamide
CID 654404
N-(2,3-Dichloro-phenyl)-2-(4-tetrazol-1-yl-phenoxy)-acetamide
CID 1135809
N-(4-Ethyl-phenyl)-2-(3-tetrazol-1-yl-phenoxy)-acetamide
CID 864037
N-(4-Methoxy-phenyl)-2-(3-tetrazol-1-yl-phenoxy)-acetamide
CID 1140123
2-[4-(Tetrazol-1-yl)phenoxy]acetamide
CID 817506

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide (CID 2478154) is N-[4-(diethylamino)phenyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide is CCN(CC)c1ccc(NC(=O)COc2ccc(-n3cnnn3)cc2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide?
The InChIKey is WWULICILVTWODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-3-24(4-2)16-7-5-15(6-8-16)21-19(26)13-27-18-11-9-17(10-12-18)25-14-20-22-23-25/h5-12,14H,3-4,13H2,1-2H3,(H,21,26).
What are the key properties of N-[4-(diethylamino)phenyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide?
N-[4-(diethylamino)phenyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide has a molecular weight of 366.43 g/mol, XLogP of 2.53, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide is sourced from PubChem (CID 2478154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).