N-(2-methylpropyl)-N-propan-2-yl-2,1,3-benzoxadiazole-5-carboxamide

C14H19N3O2 — CID 23588517

IUPACN-(2-methylpropyl)-N-propan-2-yl-2,1,3-benzoxadiazole-5-carboxamide
SMILESCC(C)CN(C(=O)c1ccc2nonc2c1)C(C)C
InChIInChI=1S/C14H19N3O2/c1-9(2)8-17(10(3)4)14(18)11-5-6-12-13(7-11)16-19-15-12/h5-7,9-10H,8H2,1-4H3
InChIKeyRYNLKMINACYVRH-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.73
Rot. Bonds4

About N-(2-methylpropyl)-N-propan-2-yl-2,1,3-benzoxadiazole-5-carboxamide

N-(2-methylpropyl)-N-propan-2-yl-2,1,3-benzoxadiazole-5-carboxamide (PubChem CID 23588517) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-propan-2-yl-2,1,3-benzoxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-propan-2-yl-2,1,3-benzoxadiazole-5-carboxamide
PubChem CID23588517
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-(2-methylpropyl)-N-propan-2-yl-2,1,3-benzoxadiazole-5-carboxamide
SMILESCC(C)CN(C(=O)c1ccc2nonc2c1)C(C)C
InChIInChI=1S/C14H19N3O2/c1-9(2)8-17(10(3)4)14(18)11-5-6-12-13(7-11)16-19-15-12/h5-7,9-10H,8H2,1-4H3
InChIKeyRYNLKMINACYVRH-UHFFFAOYSA-N
XLogP2.73
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-N-(2-methylpropyl)-N-propan-2-ylbenzamide
CID 55000398
3-hydroxy-4-iodo-N-(2-methylpropyl)-N-propan-2-ylbenzamide
CID 113434719
2-bromo-N-(2-methylpropyl)-N-propan-2-ylpyridine-4-carboxamide
CID 103755064
3-chloro-N-(2-methylpropyl)-4-nitro-N-propan-2-ylbenzamide
CID 82780952
N-cyclohexyl-N-methyl-2,1,3-benzoxadiazole-5-carboxamide
CID 25103066
3-(diethylsulfamoyl)-4-fluoro-N-(2-methylpropyl)-N-propan-2-ylbenzamide
CID 55670053
N-(3-hydroxypropyl)-N-propan-2-yl-2H-benzotriazole-5-carboxamide
CID 54916380
3-[propan-2-yl(quinoxaline-6-carbonyl)amino]propanoic acid
CID 62849526
3-[4-[2-methylpropyl(propan-2-yl)carbamoyl]phenyl]prop-2-enoic acid
CID 76912119
4-[2H-benzotriazole-5-carbonyl(propan-2-yl)amino]butanoic acid
CID 60825852
N-(2-methylpropyl)-N-propan-2-yl-4-(1,2,4-triazol-1-yl)benzamide
CID 23588515
N-(3-aminopropyl)-N-propan-2-ylquinoxaline-6-carboxamide
CID 62850042

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N-propan-2-yl-2,1,3-benzoxadiazole-5-carboxamide?
The IUPAC name of N-(2-methylpropyl)-N-propan-2-yl-2,1,3-benzoxadiazole-5-carboxamide (CID 23588517) is N-(2-methylpropyl)-N-propan-2-yl-2,1,3-benzoxadiazole-5-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-N-propan-2-yl-2,1,3-benzoxadiazole-5-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-N-propan-2-yl-2,1,3-benzoxadiazole-5-carboxamide is CC(C)CN(C(=O)c1ccc2nonc2c1)C(C)C.
What is the InChIKey of N-(2-methylpropyl)-N-propan-2-yl-2,1,3-benzoxadiazole-5-carboxamide?
The InChIKey is RYNLKMINACYVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-9(2)8-17(10(3)4)14(18)11-5-6-12-13(7-11)16-19-15-12/h5-7,9-10H,8H2,1-4H3.
What are the key properties of N-(2-methylpropyl)-N-propan-2-yl-2,1,3-benzoxadiazole-5-carboxamide?
N-(2-methylpropyl)-N-propan-2-yl-2,1,3-benzoxadiazole-5-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N-propan-2-yl-2,1,3-benzoxadiazole-5-carboxamide is sourced from PubChem (CID 23588517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).