N-[(2R)-1-(benzotriazol-1-yl)propan-2-yl]-2-(2-methylpropyl)-3-oxo-1H-isoindole-4-carboxamide

C22H25N5O2 — CID 16672272

IUPACN-[(2R)-1-(benzotriazol-1-yl)propan-2-yl]-2-(2-methylpropyl)-3-oxo-1H-isoindole-4-carboxamide
SMILESCC(C)CN1Cc2cccc(C(=O)N[C@H](C)Cn3nnc4ccccc43)c2C1=O
InChIInChI=1S/C22H25N5O2/c1-14(2)11-26-13-16-7-6-8-17(20(16)22(26)29)21(28)23-15(3)12-27-19-10-5-4-9-18(19)24-25-27/h4-10,14-15H,11-13H2,1-3H3,(H,23,28)/t15-/m1/s1
InChIKeyCDCZCENPZFUVLX-OAHLLOKOSA-N
MW391.48 g/mol
LogP2.86
Rot. Bonds6

About N-[(2R)-1-(benzotriazol-1-yl)propan-2-yl]-2-(2-methylpropyl)-3-oxo-1H-isoindole-4-carboxamide

N-[(2R)-1-(benzotriazol-1-yl)propan-2-yl]-2-(2-methylpropyl)-3-oxo-1H-isoindole-4-carboxamide (PubChem CID 16672272) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is N-[(2R)-1-(benzotriazol-1-yl)propan-2-yl]-2-(2-methylpropyl)-3-oxo-1H-isoindole-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-(benzotriazol-1-yl)propan-2-yl]-2-(2-methylpropyl)-3-oxo-1H-isoindole-4-carboxamide
PubChem CID16672272
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC NameN-[(2R)-1-(benzotriazol-1-yl)propan-2-yl]-2-(2-methylpropyl)-3-oxo-1H-isoindole-4-carboxamide
SMILESCC(C)CN1Cc2cccc(C(=O)N[C@H](C)Cn3nnc4ccccc43)c2C1=O
InChIInChI=1S/C22H25N5O2/c1-14(2)11-26-13-16-7-6-8-17(20(16)22(26)29)21(28)23-15(3)12-27-19-10-5-4-9-18(19)24-25-27/h4-10,14-15H,11-13H2,1-3H3,(H,23,28)/t15-/m1/s1
InChIKeyCDCZCENPZFUVLX-OAHLLOKOSA-N
XLogP2.86
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(benzotriazol-1-yl)propan-2-yl]-2-(2-methylpropyl)-3-oxo-1H-isoindole-4-carboxamide?
The IUPAC name of N-[(2R)-1-(benzotriazol-1-yl)propan-2-yl]-2-(2-methylpropyl)-3-oxo-1H-isoindole-4-carboxamide (CID 16672272) is N-[(2R)-1-(benzotriazol-1-yl)propan-2-yl]-2-(2-methylpropyl)-3-oxo-1H-isoindole-4-carboxamide.
What is the SMILES notation for N-[(2R)-1-(benzotriazol-1-yl)propan-2-yl]-2-(2-methylpropyl)-3-oxo-1H-isoindole-4-carboxamide?
The canonical SMILES for N-[(2R)-1-(benzotriazol-1-yl)propan-2-yl]-2-(2-methylpropyl)-3-oxo-1H-isoindole-4-carboxamide is CC(C)CN1Cc2cccc(C(=O)N[C@H](C)Cn3nnc4ccccc43)c2C1=O.
What is the InChIKey of N-[(2R)-1-(benzotriazol-1-yl)propan-2-yl]-2-(2-methylpropyl)-3-oxo-1H-isoindole-4-carboxamide?
The InChIKey is CDCZCENPZFUVLX-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-14(2)11-26-13-16-7-6-8-17(20(16)22(26)29)21(28)23-15(3)12-27-19-10-5-4-9-18(19)24-25-27/h4-10,14-15H,11-13H2,1-3H3,(H,23,28)/t15-/m1/s1.
What are the key properties of N-[(2R)-1-(benzotriazol-1-yl)propan-2-yl]-2-(2-methylpropyl)-3-oxo-1H-isoindole-4-carboxamide?
N-[(2R)-1-(benzotriazol-1-yl)propan-2-yl]-2-(2-methylpropyl)-3-oxo-1H-isoindole-4-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(benzotriazol-1-yl)propan-2-yl]-2-(2-methylpropyl)-3-oxo-1H-isoindole-4-carboxamide is sourced from PubChem (CID 16672272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).