N-[3-(2-methyltetrazol-5-yl)-1-oxo-1-[2-oxopentan-3-yl(propyl)amino]propan-2-yl]-2-propylpentanamide

C21H38N6O3 — CID 163894303

IUPACN-[3-(2-methyltetrazol-5-yl)-1-oxo-1-[2-oxopentan-3-yl(propyl)amino]propan-2-yl]-2-propylpentanamide
SMILESCCCC(CCC)C(=O)NC(Cc1nnn(C)n1)C(=O)N(CCC)C(CC)C(C)=O
InChIInChI=1S/C21H38N6O3/c1-7-11-16(12-8-2)20(29)22-17(14-19-23-25-26(6)24-19)21(30)27(13-9-3)18(10-4)15(5)28/h16-18H,7-14H2,1-6H3,(H,22,29)
InChIKeyQEGGOYKKPYVGNM-UHFFFAOYSA-N
MW422.57 g/mol
LogP2.06
Rot. Bonds14

About N-[3-(2-methyltetrazol-5-yl)-1-oxo-1-[2-oxopentan-3-yl(propyl)amino]propan-2-yl]-2-propylpentanamide

N-[3-(2-methyltetrazol-5-yl)-1-oxo-1-[2-oxopentan-3-yl(propyl)amino]propan-2-yl]-2-propylpentanamide (PubChem CID 163894303) has the molecular formula C21H38N6O3 and a molecular weight of 422.57 g/mol. Its IUPAC name is N-[3-(2-methyltetrazol-5-yl)-1-oxo-1-[2-oxopentan-3-yl(propyl)amino]propan-2-yl]-2-propylpentanamide.

Molecular Properties

Compound NameN-[3-(2-methyltetrazol-5-yl)-1-oxo-1-[2-oxopentan-3-yl(propyl)amino]propan-2-yl]-2-propylpentanamide
PubChem CID163894303
Molecular FormulaC21H38N6O3
Molecular Weight422.57 g/mol
Exact Mass422.30
IUPAC NameN-[3-(2-methyltetrazol-5-yl)-1-oxo-1-[2-oxopentan-3-yl(propyl)amino]propan-2-yl]-2-propylpentanamide
SMILESCCCC(CCC)C(=O)NC(Cc1nnn(C)n1)C(=O)N(CCC)C(CC)C(C)=O
InChIInChI=1S/C21H38N6O3/c1-7-11-16(12-8-2)20(29)22-17(14-19-23-25-26(6)24-19)21(30)27(13-9-3)18(10-4)15(5)28/h16-18H,7-14H2,1-6H3,(H,22,29)
InChIKeyQEGGOYKKPYVGNM-UHFFFAOYSA-N
XLogP2.06
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methyltetrazol-5-yl)-1-oxo-1-[2-oxopentan-3-yl(propyl)amino]propan-2-yl]-2-propylpentanamide?
The IUPAC name of N-[3-(2-methyltetrazol-5-yl)-1-oxo-1-[2-oxopentan-3-yl(propyl)amino]propan-2-yl]-2-propylpentanamide (CID 163894303) is N-[3-(2-methyltetrazol-5-yl)-1-oxo-1-[2-oxopentan-3-yl(propyl)amino]propan-2-yl]-2-propylpentanamide.
What is the SMILES notation for N-[3-(2-methyltetrazol-5-yl)-1-oxo-1-[2-oxopentan-3-yl(propyl)amino]propan-2-yl]-2-propylpentanamide?
The canonical SMILES for N-[3-(2-methyltetrazol-5-yl)-1-oxo-1-[2-oxopentan-3-yl(propyl)amino]propan-2-yl]-2-propylpentanamide is CCCC(CCC)C(=O)NC(Cc1nnn(C)n1)C(=O)N(CCC)C(CC)C(C)=O.
What is the InChIKey of N-[3-(2-methyltetrazol-5-yl)-1-oxo-1-[2-oxopentan-3-yl(propyl)amino]propan-2-yl]-2-propylpentanamide?
The InChIKey is QEGGOYKKPYVGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N6O3/c1-7-11-16(12-8-2)20(29)22-17(14-19-23-25-26(6)24-19)21(30)27(13-9-3)18(10-4)15(5)28/h16-18H,7-14H2,1-6H3,(H,22,29).
What are the key properties of N-[3-(2-methyltetrazol-5-yl)-1-oxo-1-[2-oxopentan-3-yl(propyl)amino]propan-2-yl]-2-propylpentanamide?
N-[3-(2-methyltetrazol-5-yl)-1-oxo-1-[2-oxopentan-3-yl(propyl)amino]propan-2-yl]-2-propylpentanamide has a molecular weight of 422.57 g/mol, XLogP of 2.06, 14 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methyltetrazol-5-yl)-1-oxo-1-[2-oxopentan-3-yl(propyl)amino]propan-2-yl]-2-propylpentanamide is sourced from PubChem (CID 163894303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).