N-(1-hydroxypropan-2-yl)-2-methyl-5-phenyl-3-(5-propan-2-yltetrazol-1-yl)benzamide

C21H25N5O2 — CID 159139757

IUPACN-(1-hydroxypropan-2-yl)-2-methyl-5-phenyl-3-(5-propan-2-yltetrazol-1-yl)benzamide
SMILESCc1c(C(=O)NC(C)CO)cc(-c2ccccc2)cc1-n1nnnc1C(C)C
InChIInChI=1S/C21H25N5O2/c1-13(2)20-23-24-25-26(20)19-11-17(16-8-6-5-7-9-16)10-18(15(19)4)21(28)22-14(3)12-27/h5-11,13-14,27H,12H2,1-4H3,(H,22,28)
InChIKeyKHYJTOQDSTZMOJ-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.87
Rot. Bonds6

About N-(1-hydroxypropan-2-yl)-2-methyl-5-phenyl-3-(5-propan-2-yltetrazol-1-yl)benzamide

N-(1-hydroxypropan-2-yl)-2-methyl-5-phenyl-3-(5-propan-2-yltetrazol-1-yl)benzamide (PubChem CID 159139757) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-2-methyl-5-phenyl-3-(5-propan-2-yltetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-2-methyl-5-phenyl-3-(5-propan-2-yltetrazol-1-yl)benzamide
PubChem CID159139757
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC NameN-(1-hydroxypropan-2-yl)-2-methyl-5-phenyl-3-(5-propan-2-yltetrazol-1-yl)benzamide
SMILESCc1c(C(=O)NC(C)CO)cc(-c2ccccc2)cc1-n1nnnc1C(C)C
InChIInChI=1S/C21H25N5O2/c1-13(2)20-23-24-25-26(20)19-11-17(16-8-6-5-7-9-16)10-18(15(19)4)21(28)22-14(3)12-27/h5-11,13-14,27H,12H2,1-4H3,(H,22,28)
InChIKeyKHYJTOQDSTZMOJ-UHFFFAOYSA-N
XLogP2.87
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-2-methyl-5-phenyl-3-(5-propan-2-yltetrazol-1-yl)benzamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-2-methyl-5-phenyl-3-(5-propan-2-yltetrazol-1-yl)benzamide (CID 159139757) is N-(1-hydroxypropan-2-yl)-2-methyl-5-phenyl-3-(5-propan-2-yltetrazol-1-yl)benzamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-2-methyl-5-phenyl-3-(5-propan-2-yltetrazol-1-yl)benzamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-2-methyl-5-phenyl-3-(5-propan-2-yltetrazol-1-yl)benzamide is Cc1c(C(=O)NC(C)CO)cc(-c2ccccc2)cc1-n1nnnc1C(C)C.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-2-methyl-5-phenyl-3-(5-propan-2-yltetrazol-1-yl)benzamide?
The InChIKey is KHYJTOQDSTZMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-13(2)20-23-24-25-26(20)19-11-17(16-8-6-5-7-9-16)10-18(15(19)4)21(28)22-14(3)12-27/h5-11,13-14,27H,12H2,1-4H3,(H,22,28).
What are the key properties of N-(1-hydroxypropan-2-yl)-2-methyl-5-phenyl-3-(5-propan-2-yltetrazol-1-yl)benzamide?
N-(1-hydroxypropan-2-yl)-2-methyl-5-phenyl-3-(5-propan-2-yltetrazol-1-yl)benzamide has a molecular weight of 379.46 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-2-methyl-5-phenyl-3-(5-propan-2-yltetrazol-1-yl)benzamide is sourced from PubChem (CID 159139757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).