N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(5-phenyltetrazol-2-yl)propanamide

C17H23N5O2 — CID 109399686

IUPACN-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(5-phenyltetrazol-2-yl)propanamide
SMILESCC(C(=O)N(C)CC1CCCC1O)n1nnc(-c2ccccc2)n1
InChIInChI=1S/C17H23N5O2/c1-12(17(24)21(2)11-14-9-6-10-15(14)23)22-19-16(18-20-22)13-7-4-3-5-8-13/h3-5,7-8,12,14-15,23H,6,9-11H2,1-2H3
InChIKeyICCKLLUYGLFUIS-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.52
Rot. Bonds5

About N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(5-phenyltetrazol-2-yl)propanamide

N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(5-phenyltetrazol-2-yl)propanamide (PubChem CID 109399686) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(5-phenyltetrazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(5-phenyltetrazol-2-yl)propanamide
PubChem CID109399686
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC NameN-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(5-phenyltetrazol-2-yl)propanamide
SMILESCC(C(=O)N(C)CC1CCCC1O)n1nnc(-c2ccccc2)n1
InChIInChI=1S/C17H23N5O2/c1-12(17(24)21(2)11-14-9-6-10-15(14)23)22-19-16(18-20-22)13-7-4-3-5-8-13/h3-5,7-8,12,14-15,23H,6,9-11H2,1-2H3
InChIKeyICCKLLUYGLFUIS-UHFFFAOYSA-N
XLogP1.52
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(5-phenyltetrazol-2-yl)propanamide?
The IUPAC name of N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(5-phenyltetrazol-2-yl)propanamide (CID 109399686) is N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(5-phenyltetrazol-2-yl)propanamide.
What is the SMILES notation for N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(5-phenyltetrazol-2-yl)propanamide?
The canonical SMILES for N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(5-phenyltetrazol-2-yl)propanamide is CC(C(=O)N(C)CC1CCCC1O)n1nnc(-c2ccccc2)n1.
What is the InChIKey of N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(5-phenyltetrazol-2-yl)propanamide?
The InChIKey is ICCKLLUYGLFUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-12(17(24)21(2)11-14-9-6-10-15(14)23)22-19-16(18-20-22)13-7-4-3-5-8-13/h3-5,7-8,12,14-15,23H,6,9-11H2,1-2H3.
What are the key properties of N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(5-phenyltetrazol-2-yl)propanamide?
N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(5-phenyltetrazol-2-yl)propanamide has a molecular weight of 329.40 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(5-phenyltetrazol-2-yl)propanamide is sourced from PubChem (CID 109399686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).