N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-butylindazole-3-carboxamide

C18H26N4O2 — CID 155907792

IUPACN-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-butylindazole-3-carboxamide
SMILESCCCCn1nc(C(=O)N[C@H](C(N)=O)C(C)(C)C)c2ccccc21
InChIInChI=1S/C18H26N4O2/c1-5-6-11-22-13-10-8-7-9-12(13)14(21-22)17(24)20-15(16(19)23)18(2,3)4/h7-10,15H,5-6,11H2,1-4H3,(H2,19,23)(H,20,24)/t15-/m1/s1
InChIKeyGPWADXHYJAZPAX-OAHLLOKOSA-N
MW330.43 g/mol
LogP2.47
Rot. Bonds6

About N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-butylindazole-3-carboxamide

N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-butylindazole-3-carboxamide (PubChem CID 155907792) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-butylindazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-butylindazole-3-carboxamide
PubChem CID155907792
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC NameN-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-butylindazole-3-carboxamide
SMILESCCCCn1nc(C(=O)N[C@H](C(N)=O)C(C)(C)C)c2ccccc21
InChIInChI=1S/C18H26N4O2/c1-5-6-11-22-13-10-8-7-9-12(13)14(21-22)17(24)20-15(16(19)23)18(2,3)4/h7-10,15H,5-6,11H2,1-4H3,(H2,19,23)(H,20,24)/t15-/m1/s1
InChIKeyGPWADXHYJAZPAX-OAHLLOKOSA-N
XLogP2.47
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-butylindazole-3-carboxamide?
The IUPAC name of N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-butylindazole-3-carboxamide (CID 155907792) is N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-butylindazole-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-butylindazole-3-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-butylindazole-3-carboxamide is CCCCn1nc(C(=O)N[C@H](C(N)=O)C(C)(C)C)c2ccccc21.
What is the InChIKey of N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-butylindazole-3-carboxamide?
The InChIKey is GPWADXHYJAZPAX-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-5-6-11-22-13-10-8-7-9-12(13)14(21-22)17(24)20-15(16(19)23)18(2,3)4/h7-10,15H,5-6,11H2,1-4H3,(H2,19,23)(H,20,24)/t15-/m1/s1.
What are the key properties of N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-butylindazole-3-carboxamide?
N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-butylindazole-3-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-butylindazole-3-carboxamide is sourced from PubChem (CID 155907792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).