N-cyclopentyl-3-[5-(4-methylphenyl)tetrazol-2-yl]propanamide

C16H21N5O — CID 645245

IUPACN-cyclopentyl-3-[5-(4-methylphenyl)tetrazol-2-yl]propanamide
SMILESCc1ccc(-c2nnn(CCC(=O)NC3CCCC3)n2)cc1
InChIInChI=1S/C16H21N5O/c1-12-6-8-13(9-7-12)16-18-20-21(19-16)11-10-15(22)17-14-4-2-3-5-14/h6-9,14H,2-5,10-11H2,1H3,(H,17,22)
InChIKeyHEKYTWHOOIWVPI-UHFFFAOYSA-N
MW299.38 g/mol
LogP2.10
Rot. Bonds5

About N-cyclopentyl-3-[5-(4-methylphenyl)tetrazol-2-yl]propanamide

N-cyclopentyl-3-[5-(4-methylphenyl)tetrazol-2-yl]propanamide (PubChem CID 645245) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is N-cyclopentyl-3-[5-(4-methylphenyl)tetrazol-2-yl]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[5-(4-methylphenyl)tetrazol-2-yl]propanamide
PubChem CID645245
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC NameN-cyclopentyl-3-[5-(4-methylphenyl)tetrazol-2-yl]propanamide
SMILESCc1ccc(-c2nnn(CCC(=O)NC3CCCC3)n2)cc1
InChIInChI=1S/C16H21N5O/c1-12-6-8-13(9-7-12)16-18-20-21(19-16)11-10-15(22)17-14-4-2-3-5-14/h6-9,14H,2-5,10-11H2,1H3,(H,17,22)
InChIKeyHEKYTWHOOIWVPI-UHFFFAOYSA-N
XLogP2.10
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[5-(4-methylphenyl)tetrazol-2-yl]propanamide?
The IUPAC name of N-cyclopentyl-3-[5-(4-methylphenyl)tetrazol-2-yl]propanamide (CID 645245) is N-cyclopentyl-3-[5-(4-methylphenyl)tetrazol-2-yl]propanamide.
What is the SMILES notation for N-cyclopentyl-3-[5-(4-methylphenyl)tetrazol-2-yl]propanamide?
The canonical SMILES for N-cyclopentyl-3-[5-(4-methylphenyl)tetrazol-2-yl]propanamide is Cc1ccc(-c2nnn(CCC(=O)NC3CCCC3)n2)cc1.
What is the InChIKey of N-cyclopentyl-3-[5-(4-methylphenyl)tetrazol-2-yl]propanamide?
The InChIKey is HEKYTWHOOIWVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-12-6-8-13(9-7-12)16-18-20-21(19-16)11-10-15(22)17-14-4-2-3-5-14/h6-9,14H,2-5,10-11H2,1H3,(H,17,22).
What are the key properties of N-cyclopentyl-3-[5-(4-methylphenyl)tetrazol-2-yl]propanamide?
N-cyclopentyl-3-[5-(4-methylphenyl)tetrazol-2-yl]propanamide has a molecular weight of 299.38 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[5-(4-methylphenyl)tetrazol-2-yl]propanamide is sourced from PubChem (CID 645245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).