N-cycloheptyl-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide

C19H27N5O — CID 7589043

IUPACN-cycloheptyl-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
SMILESCC(C)c1ccc(-c2nnn(CC(=O)NC3CCCCCC3)n2)cc1
InChIInChI=1S/C19H27N5O/c1-14(2)15-9-11-16(12-10-15)19-21-23-24(22-19)13-18(25)20-17-7-5-3-4-6-8-17/h9-12,14,17H,3-8,13H2,1-2H3,(H,20,25)
InChIKeyPRYSTCWYYULJRQ-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.30
Rot. Bonds5

About N-cycloheptyl-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide

N-cycloheptyl-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide (PubChem CID 7589043) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is N-cycloheptyl-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
PubChem CID7589043
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC NameN-cycloheptyl-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
SMILESCC(C)c1ccc(-c2nnn(CC(=O)NC3CCCCCC3)n2)cc1
InChIInChI=1S/C19H27N5O/c1-14(2)15-9-11-16(12-10-15)19-21-23-24(22-19)13-18(25)20-17-7-5-3-4-6-8-17/h9-12,14,17H,3-8,13H2,1-2H3,(H,20,25)
InChIKeyPRYSTCWYYULJRQ-UHFFFAOYSA-N
XLogP3.30
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-2-[5-[4-(2-methylpropoxy)phenyl]tetrazol-2-yl]acetamide
CID 1136538
N-cyclohexyl-2-[5-(4-prop-2-enoxyphenyl)tetrazol-2-yl]acetamide
CID 18524845
N-cyclohexyl-2-[5-[4-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]tetrazol-2-yl]acetamide
CID 7411277
N-(propan-2-ylcarbamoyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 8025143
[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-[5-(4-chlorophenyl)tetrazol-2-yl]acetate
CID 8825492
N-cyclopentyl-2-[5-(3-methylphenyl)tetrazol-2-yl]acetamide
CID 6458492
N-(2-methylbutan-2-yl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 8643218
N-(2,3-dihydro-1H-inden-5-yl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 7489486
N-(1-cyanocyclopentyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 7589056
N-[(1R)-1-phenylethyl]-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 7589016
1-(4-methylpiperidin-1-yl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]ethanone
CID 860141
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-cyclopentyl-N-[2-(cyclopentylamino)-2-oxoethyl]acetamide
CID 3179691

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-cycloheptyl-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide (CID 7589043) is N-cycloheptyl-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-cycloheptyl-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-cycloheptyl-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide is CC(C)c1ccc(-c2nnn(CC(=O)NC3CCCCCC3)n2)cc1.
What is the InChIKey of N-cycloheptyl-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide?
The InChIKey is PRYSTCWYYULJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-14(2)15-9-11-16(12-10-15)19-21-23-24(22-19)13-18(25)20-17-7-5-3-4-6-8-17/h9-12,14,17H,3-8,13H2,1-2H3,(H,20,25).
What are the key properties of N-cycloheptyl-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide?
N-cycloheptyl-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide has a molecular weight of 341.46 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 7589043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).