N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-1-butylindazole-3-carboxamide

C21H24N4O2 — CID 154735174

IUPACN-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-1-butylindazole-3-carboxamide
SMILESCCCCn1nc(C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c2ccccc21
InChIInChI=1S/C21H24N4O2/c1-2-3-13-25-18-12-8-7-11-16(18)19(24-25)21(27)23-17(20(22)26)14-15-9-5-4-6-10-15/h4-12,17H,2-3,13-14H2,1H3,(H2,22,26)(H,23,27)/t17-/m0/s1
InChIKeyOYARCJMQMAFMTG-KRWDZBQOSA-N
MW364.45 g/mol
LogP2.66
Rot. Bonds8

About N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-1-butylindazole-3-carboxamide

N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-1-butylindazole-3-carboxamide (PubChem CID 154735174) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-1-butylindazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-1-butylindazole-3-carboxamide
PubChem CID154735174
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-1-butylindazole-3-carboxamide
SMILESCCCCn1nc(C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c2ccccc21
InChIInChI=1S/C21H24N4O2/c1-2-3-13-25-18-12-8-7-11-16(18)19(24-25)21(27)23-17(20(22)26)14-15-9-5-4-6-10-15/h4-12,17H,2-3,13-14H2,1H3,(H2,22,26)(H,23,27)/t17-/m0/s1
InChIKeyOYARCJMQMAFMTG-KRWDZBQOSA-N
XLogP2.66
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.66
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-1-oxo-3-phenylpropan-2-yl]-1-butylindazole-3-carboxamide?
The IUPAC name of N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-1-butylindazole-3-carboxamide (CID 154735174) is N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-1-butylindazole-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-1-butylindazole-3-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-1-butylindazole-3-carboxamide is CCCCn1nc(C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c2ccccc21.
What is the InChIKey of N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-1-butylindazole-3-carboxamide?
The InChIKey is OYARCJMQMAFMTG-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-2-3-13-25-18-12-8-7-11-16(18)19(24-25)21(27)23-17(20(22)26)14-15-9-5-4-6-10-15/h4-12,17H,2-3,13-14H2,1H3,(H2,22,26)(H,23,27)/t17-/m0/s1.
What are the key properties of N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-1-butylindazole-3-carboxamide?
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-1-butylindazole-3-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 2.66, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-1-butylindazole-3-carboxamide is sourced from PubChem (CID 154735174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).