N-[2-[2-[2-amino-1-(4-methylphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]propanamide

C19H20N6O2 — CID 22300950

IUPACN-[2-[2-[2-amino-1-(4-methylphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]propanamide
SMILESCCC(=O)Nc1ccccc1-c1nnn(C(C(N)=O)c2ccc(C)cc2)n1
InChIInChI=1S/C19H20N6O2/c1-3-16(26)21-15-7-5-4-6-14(15)19-22-24-25(23-19)17(18(20)27)13-10-8-12(2)9-11-13/h4-11,17H,3H2,1-2H3,(H2,20,27)(H,21,26)
InChIKeyVTFULXWTMQFKNR-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.07
Rot. Bonds6

About N-[2-[2-[2-amino-1-(4-methylphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]propanamide

N-[2-[2-[2-amino-1-(4-methylphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]propanamide (PubChem CID 22300950) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-[2-[2-[2-amino-1-(4-methylphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]propanamide.

Molecular Properties

Compound NameN-[2-[2-[2-amino-1-(4-methylphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]propanamide
PubChem CID22300950
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC NameN-[2-[2-[2-amino-1-(4-methylphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]propanamide
SMILESCCC(=O)Nc1ccccc1-c1nnn(C(C(N)=O)c2ccc(C)cc2)n1
InChIInChI=1S/C19H20N6O2/c1-3-16(26)21-15-7-5-4-6-14(15)19-22-24-25(23-19)17(18(20)27)13-10-8-12(2)9-11-13/h4-11,17H,3H2,1-2H3,(H2,20,27)(H,21,26)
InChIKeyVTFULXWTMQFKNR-UHFFFAOYSA-N
XLogP2.07
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-amino-1-(4-methylphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]propanamide?
The IUPAC name of N-[2-[2-[2-amino-1-(4-methylphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]propanamide (CID 22300950) is N-[2-[2-[2-amino-1-(4-methylphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]propanamide.
What is the SMILES notation for N-[2-[2-[2-amino-1-(4-methylphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]propanamide?
The canonical SMILES for N-[2-[2-[2-amino-1-(4-methylphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]propanamide is CCC(=O)Nc1ccccc1-c1nnn(C(C(N)=O)c2ccc(C)cc2)n1.
What is the InChIKey of N-[2-[2-[2-amino-1-(4-methylphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]propanamide?
The InChIKey is VTFULXWTMQFKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-3-16(26)21-15-7-5-4-6-14(15)19-22-24-25(23-19)17(18(20)27)13-10-8-12(2)9-11-13/h4-11,17H,3H2,1-2H3,(H2,20,27)(H,21,26).
What are the key properties of N-[2-[2-[2-amino-1-(4-methylphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]propanamide?
N-[2-[2-[2-amino-1-(4-methylphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]propanamide has a molecular weight of 364.41 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-amino-1-(4-methylphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]propanamide is sourced from PubChem (CID 22300950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).