N-[2-(2-hydroxypropylamino)ethyl]-4-(tetrazol-1-yl)benzamide

C13H18N6O2 — CID 104593682

IUPACN-[2-(2-hydroxypropylamino)ethyl]-4-(tetrazol-1-yl)benzamide
SMILESCC(O)CNCCNC(=O)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C13H18N6O2/c1-10(20)8-14-6-7-15-13(21)11-2-4-12(5-3-11)19-9-16-17-18-19/h2-5,9-10,14,20H,6-8H2,1H3,(H,15,21)
InChIKeyFNBKUWHLSUCRFK-UHFFFAOYSA-N
MW290.33 g/mol
LogP-0.64
Rot. Bonds7

About N-[2-(2-hydroxypropylamino)ethyl]-4-(tetrazol-1-yl)benzamide

N-[2-(2-hydroxypropylamino)ethyl]-4-(tetrazol-1-yl)benzamide (PubChem CID 104593682) has the molecular formula C13H18N6O2 and a molecular weight of 290.33 g/mol. Its IUPAC name is N-[2-(2-hydroxypropylamino)ethyl]-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(2-hydroxypropylamino)ethyl]-4-(tetrazol-1-yl)benzamide
PubChem CID104593682
Molecular FormulaC13H18N6O2
Molecular Weight290.33 g/mol
Exact Mass290.15
IUPAC NameN-[2-(2-hydroxypropylamino)ethyl]-4-(tetrazol-1-yl)benzamide
SMILESCC(O)CNCCNC(=O)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C13H18N6O2/c1-10(20)8-14-6-7-15-13(21)11-2-4-12(5-3-11)19-9-16-17-18-19/h2-5,9-10,14,20H,6-8H2,1H3,(H,15,21)
InChIKeyFNBKUWHLSUCRFK-UHFFFAOYSA-N
XLogP-0.64
TPSA104.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxypropylamino)ethyl]-4-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[2-(2-hydroxypropylamino)ethyl]-4-(tetrazol-1-yl)benzamide (CID 104593682) is N-[2-(2-hydroxypropylamino)ethyl]-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[2-(2-hydroxypropylamino)ethyl]-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[2-(2-hydroxypropylamino)ethyl]-4-(tetrazol-1-yl)benzamide is CC(O)CNCCNC(=O)c1ccc(-n2cnnn2)cc1.
What is the InChIKey of N-[2-(2-hydroxypropylamino)ethyl]-4-(tetrazol-1-yl)benzamide?
The InChIKey is FNBKUWHLSUCRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O2/c1-10(20)8-14-6-7-15-13(21)11-2-4-12(5-3-11)19-9-16-17-18-19/h2-5,9-10,14,20H,6-8H2,1H3,(H,15,21).
What are the key properties of N-[2-(2-hydroxypropylamino)ethyl]-4-(tetrazol-1-yl)benzamide?
N-[2-(2-hydroxypropylamino)ethyl]-4-(tetrazol-1-yl)benzamide has a molecular weight of 290.33 g/mol, XLogP of -0.64, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxypropylamino)ethyl]-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 104593682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).