N-[4-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-methylbutanamide

C19H22N6O3 — CID 1440069

IUPACN-[4-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(-c2nnn(CC(=O)NCc3ccco3)n2)cc1
InChIInChI=1S/C19H22N6O3/c1-13(2)10-17(26)21-15-7-5-14(6-8-15)19-22-24-25(23-19)12-18(27)20-11-16-4-3-9-28-16/h3-9,13H,10-12H2,1-2H3,(H,20,27)(H,21,26)
InChIKeyXKKHRKSWMWPFPI-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.23
Rot. Bonds8

About N-[4-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-methylbutanamide

N-[4-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-methylbutanamide (PubChem CID 1440069) has the molecular formula C19H22N6O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-[4-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[4-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-methylbutanamide
PubChem CID1440069
Molecular FormulaC19H22N6O3
Molecular Weight382.42 g/mol
Exact Mass382.18
IUPAC NameN-[4-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(-c2nnn(CC(=O)NCc3ccco3)n2)cc1
InChIInChI=1S/C19H22N6O3/c1-13(2)10-17(26)21-15-7-5-14(6-8-15)19-22-24-25(23-19)12-18(27)20-11-16-4-3-9-28-16/h3-9,13H,10-12H2,1-2H3,(H,20,27)(H,21,26)
InChIKeyXKKHRKSWMWPFPI-UHFFFAOYSA-N
XLogP2.23
TPSA114.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-methylbutanamide?
The IUPAC name of N-[4-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-methylbutanamide (CID 1440069) is N-[4-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-methylbutanamide.
What is the SMILES notation for N-[4-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-methylbutanamide?
The canonical SMILES for N-[4-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-methylbutanamide is CC(C)CC(=O)Nc1ccc(-c2nnn(CC(=O)NCc3ccco3)n2)cc1.
What is the InChIKey of N-[4-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-methylbutanamide?
The InChIKey is XKKHRKSWMWPFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O3/c1-13(2)10-17(26)21-15-7-5-14(6-8-15)19-22-24-25(23-19)12-18(27)20-11-16-4-3-9-28-16/h3-9,13H,10-12H2,1-2H3,(H,20,27)(H,21,26).
What are the key properties of N-[4-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-methylbutanamide?
N-[4-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-methylbutanamide has a molecular weight of 382.42 g/mol, XLogP of 2.23, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-methylbutanamide is sourced from PubChem (CID 1440069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).