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

C15H17F3N6O2 — CID 46970101

IUPACN-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]-3-(tetrazol-1-yl)propanamide
SMILESO=C(CCn1cnnn1)Nc1ccc(N2CCOCC2)c(C(F)(F)F)c1
InChIInChI=1S/C15H17F3N6O2/c16-15(17,18)12-9-11(1-2-13(12)23-5-7-26-8-6-23)20-14(25)3-4-24-10-19-21-22-24/h1-2,9-10H,3-8H2,(H,20,25)
InChIKeyYEDOGZMYLHSPHW-UHFFFAOYSA-N
MW370.34 g/mol
LogP1.56
Rot. Bonds5

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

N-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]-3-(tetrazol-1-yl)propanamide (PubChem CID 46970101) has the molecular formula C15H17F3N6O2 and a molecular weight of 370.34 g/mol. Its IUPAC name is N-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]-3-(tetrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]-3-(tetrazol-1-yl)propanamide
PubChem CID46970101
Molecular FormulaC15H17F3N6O2
Molecular Weight370.34 g/mol
Exact Mass370.14
IUPAC NameN-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]-3-(tetrazol-1-yl)propanamide
SMILESO=C(CCn1cnnn1)Nc1ccc(N2CCOCC2)c(C(F)(F)F)c1
InChIInChI=1S/C15H17F3N6O2/c16-15(17,18)12-9-11(1-2-13(12)23-5-7-26-8-6-23)20-14(25)3-4-24-10-19-21-22-24/h1-2,9-10H,3-8H2,(H,20,25)
InChIKeyYEDOGZMYLHSPHW-UHFFFAOYSA-N
XLogP1.56
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.34
LogP ≤ 51.56
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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Frequently Asked Questions

What is the IUPAC name of N-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]-3-(tetrazol-1-yl)propanamide?
The IUPAC name of N-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]-3-(tetrazol-1-yl)propanamide (CID 46970101) is N-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]-3-(tetrazol-1-yl)propanamide.
What is the SMILES notation for N-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]-3-(tetrazol-1-yl)propanamide?
The canonical SMILES for N-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]-3-(tetrazol-1-yl)propanamide is O=C(CCn1cnnn1)Nc1ccc(N2CCOCC2)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]-3-(tetrazol-1-yl)propanamide?
The InChIKey is YEDOGZMYLHSPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N6O2/c16-15(17,18)12-9-11(1-2-13(12)23-5-7-26-8-6-23)20-14(25)3-4-24-10-19-21-22-24/h1-2,9-10H,3-8H2,(H,20,25).
What are the key properties of N-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]-3-(tetrazol-1-yl)propanamide?
N-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]-3-(tetrazol-1-yl)propanamide has a molecular weight of 370.34 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]-3-(tetrazol-1-yl)propanamide is sourced from PubChem (CID 46970101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).