N-butan-2-yl-4-(2-methylphenyl)-5-oxo-N-propyltetrazole-1-carboxamide

C16H23N5O2 — CID 22370212

IUPACN-butan-2-yl-4-(2-methylphenyl)-5-oxo-N-propyltetrazole-1-carboxamide
SMILESCCCN(C(=O)n1nnn(-c2ccccc2C)c1=O)C(C)CC
InChIInChI=1S/C16H23N5O2/c1-5-11-19(13(4)6-2)15(22)21-16(23)20(17-18-21)14-10-8-7-9-12(14)3/h7-10,13H,5-6,11H2,1-4H3
InChIKeyBLCYINUYQYZAIM-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.22
Rot. Bonds5

About N-butan-2-yl-4-(2-methylphenyl)-5-oxo-N-propyltetrazole-1-carboxamide

N-butan-2-yl-4-(2-methylphenyl)-5-oxo-N-propyltetrazole-1-carboxamide (PubChem CID 22370212) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-butan-2-yl-4-(2-methylphenyl)-5-oxo-N-propyltetrazole-1-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-4-(2-methylphenyl)-5-oxo-N-propyltetrazole-1-carboxamide
PubChem CID22370212
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC NameN-butan-2-yl-4-(2-methylphenyl)-5-oxo-N-propyltetrazole-1-carboxamide
SMILESCCCN(C(=O)n1nnn(-c2ccccc2C)c1=O)C(C)CC
InChIInChI=1S/C16H23N5O2/c1-5-11-19(13(4)6-2)15(22)21-16(23)20(17-18-21)14-10-8-7-9-12(14)3/h7-10,13H,5-6,11H2,1-4H3
InChIKeyBLCYINUYQYZAIM-UHFFFAOYSA-N
XLogP2.22
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amidotetrazole', 'substructure': 'N/A'}

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Related Compounds

4-(2-chlorophenyl)-N-dodecyl-N-methyl-5-oxotetrazole-1-carboxamide
CID 58502051
N-(2-methylpropyl)-5-oxo-4-phenyl-N-propan-2-yltetrazole-1-carboxamide
CID 22167298
2-[butan-2-yl-[1-(2-methylphenyl)pyrazole-4-carbonyl]amino]acetic acid
CID 119954871
4-(2-chlorophenyl)-N-cyclopentyl-N-ethyl-5-oxotetrazole-1-carboxamide
CID 15219374
N-butan-2-yl-2-methyl-N-propylpropanamide
CID 153425252
N-(2-hydroxyethyl)-1-(2-methylphenyl)-N-propyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110907858
N-methyl-5-oxo-N,4-diphenyltetrazole-1-carboxamide
CID 14857263
4-amino-N-butan-2-yl-3-methyl-5-oxo-N-phenyl-1,2,4-triazole-1-carboxamide
CID 19108289
N-ethyl-4-(2-fluoro-6-methoxyphenyl)-N-(2-methylphenyl)-5-oxotetrazole-1-carboxamide
CID 58502374
4-(2-chlorophenyl)-N-cyclohexyl-5-oxo-N-propan-2-yltetrazole-1-carboxamide
CID 58502110
N-ethyl-N-(2-fluorophenyl)-5-oxo-4-(2-phenoxyphenyl)tetrazole-1-carboxamide
CID 58502221
N-[(2S)-butan-2-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 7647056

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-(2-methylphenyl)-5-oxo-N-propyltetrazole-1-carboxamide?
The IUPAC name of N-butan-2-yl-4-(2-methylphenyl)-5-oxo-N-propyltetrazole-1-carboxamide (CID 22370212) is N-butan-2-yl-4-(2-methylphenyl)-5-oxo-N-propyltetrazole-1-carboxamide.
What is the SMILES notation for N-butan-2-yl-4-(2-methylphenyl)-5-oxo-N-propyltetrazole-1-carboxamide?
The canonical SMILES for N-butan-2-yl-4-(2-methylphenyl)-5-oxo-N-propyltetrazole-1-carboxamide is CCCN(C(=O)n1nnn(-c2ccccc2C)c1=O)C(C)CC.
What is the InChIKey of N-butan-2-yl-4-(2-methylphenyl)-5-oxo-N-propyltetrazole-1-carboxamide?
The InChIKey is BLCYINUYQYZAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-5-11-19(13(4)6-2)15(22)21-16(23)20(17-18-21)14-10-8-7-9-12(14)3/h7-10,13H,5-6,11H2,1-4H3.
What are the key properties of N-butan-2-yl-4-(2-methylphenyl)-5-oxo-N-propyltetrazole-1-carboxamide?
N-butan-2-yl-4-(2-methylphenyl)-5-oxo-N-propyltetrazole-1-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-(2-methylphenyl)-5-oxo-N-propyltetrazole-1-carboxamide is sourced from PubChem (CID 22370212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).