but-1-ene;1-ethyl-N-[1-(ethylamino)-3,3-dimethyl-1-oxobutan-2-yl]indazole-3-carboxamide

C22H34N4O2 — CID 169175691

IUPACbut-1-ene;1-ethyl-N-[1-(ethylamino)-3,3-dimethyl-1-oxobutan-2-yl]indazole-3-carboxamide
SMILESC=CCC.CCNC(=O)C(NC(=O)c1nn(CC)c2ccccc12)C(C)(C)C
InChIInChI=1S/C18H26N4O2.C4H8/c1-6-19-17(24)15(18(3,4)5)20-16(23)14-12-10-8-9-11-13(12)22(7-2)21-14;1-3-4-2/h8-11,15H,6-7H2,1-5H3,(H,19,24)(H,20,23);3H,1,4H2,2H3
InChIKeyUZSMXULHEXDRHW-UHFFFAOYSA-N
MW386.54 g/mol
LogP3.92
Rot. Bonds6

About but-1-ene;1-ethyl-N-[1-(ethylamino)-3,3-dimethyl-1-oxobutan-2-yl]indazole-3-carboxamide

but-1-ene;1-ethyl-N-[1-(ethylamino)-3,3-dimethyl-1-oxobutan-2-yl]indazole-3-carboxamide (PubChem CID 169175691) has the molecular formula C22H34N4O2 and a molecular weight of 386.54 g/mol. Its IUPAC name is but-1-ene;1-ethyl-N-[1-(ethylamino)-3,3-dimethyl-1-oxobutan-2-yl]indazole-3-carboxamide.

Molecular Properties

Compound Namebut-1-ene;1-ethyl-N-[1-(ethylamino)-3,3-dimethyl-1-oxobutan-2-yl]indazole-3-carboxamide
PubChem CID169175691
Molecular FormulaC22H34N4O2
Molecular Weight386.54 g/mol
Exact Mass386.27
IUPAC Namebut-1-ene;1-ethyl-N-[1-(ethylamino)-3,3-dimethyl-1-oxobutan-2-yl]indazole-3-carboxamide
SMILESC=CCC.CCNC(=O)C(NC(=O)c1nn(CC)c2ccccc12)C(C)(C)C
InChIInChI=1S/C18H26N4O2.C4H8/c1-6-19-17(24)15(18(3,4)5)20-16(23)14-12-10-8-9-11-13(12)22(7-2)21-14;1-3-4-2/h8-11,15H,6-7H2,1-5H3,(H,19,24)(H,20,23);3H,1,4H2,2H3
InChIKeyUZSMXULHEXDRHW-UHFFFAOYSA-N
XLogP3.92
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-1-[[(2S)-2,3-dihydroxypropyl]amino]-3,3-dimethyl-1-oxobutan-2-yl]-1-(naphthalen-1-ylmethyl)indazole-3-carboxamide
CID 58124563
N-[1-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethylamino]-3,3-dimethyl-1-oxobutan-2-yl]-1-pent-4-enylindazole-3-carboxamide
CID 169175623
N-[(2S)-1-(2,3-dihydroxypropylamino)-3,3-dimethyl-1-oxobutan-2-yl]-1-[2-(2,2,2-trifluoroethoxy)ethyl]indazole-3-carboxamide
CID 70969806
N-[1-[(2-amino-2-oxoethyl)amino]-3,3-dimethyl-1-oxobutan-2-yl]-1-[(4-fluorophenyl)methyl]indazole-3-carboxamide
CID 58124519
3-[[(2S)-2-[[1-(4-cyanobutyl)indazole-3-carbonyl]amino]-3,3-dimethylbutanoyl]amino]propanoic acid
CID 68893087
(2S)-2-amino-N,N'-bis[2-[2-[2-[2-[[(2S)-3,3-dimethyl-2-[(1-pent-4-enylindazole-3-carbonyl)amino]butanoyl]amino]ethoxy]ethoxy]ethoxy]ethyl]pentanediamide
CID 172635080
N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-(3-trimethylsilylpropyl)indazole-3-carboxamide
CID 172871875
N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-1-pent-4-ynylindazole-3-carboxamide
CID 169175694
1-(3-aminopropyl)-N-[(2S)-1-(1,3-dihydroxypropan-2-ylamino)-3,3-dimethyl-1-oxobutan-2-yl]indazole-3-carboxamide
CID 70969944
2-[[2-[[1-[(3-fluorophenyl)methyl]indazole-3-carbonyl]amino]-3,3-dimethylbutanoyl]amino]acetic acid
CID 58124548
1-(4-aminobutyl)-N-[1-[2-(cyclopropanecarbonylamino)ethylamino]-3,3-dimethyl-1-oxobutan-2-yl]indazole-3-carboxamide
CID 70969581
2-[[(2S)-2-[[1-[(4-fluorophenyl)methyl]indazole-3-carbonyl]amino]-3,3-dimethylbutanoyl]amino]ethanesulfinic acid
CID 70969200

Frequently Asked Questions

What is the IUPAC name of but-1-ene;1-ethyl-N-[1-(ethylamino)-3,3-dimethyl-1-oxobutan-2-yl]indazole-3-carboxamide?
The IUPAC name of but-1-ene;1-ethyl-N-[1-(ethylamino)-3,3-dimethyl-1-oxobutan-2-yl]indazole-3-carboxamide (CID 169175691) is but-1-ene;1-ethyl-N-[1-(ethylamino)-3,3-dimethyl-1-oxobutan-2-yl]indazole-3-carboxamide.
What is the SMILES notation for but-1-ene;1-ethyl-N-[1-(ethylamino)-3,3-dimethyl-1-oxobutan-2-yl]indazole-3-carboxamide?
The canonical SMILES for but-1-ene;1-ethyl-N-[1-(ethylamino)-3,3-dimethyl-1-oxobutan-2-yl]indazole-3-carboxamide is C=CCC.CCNC(=O)C(NC(=O)c1nn(CC)c2ccccc12)C(C)(C)C.
What is the InChIKey of but-1-ene;1-ethyl-N-[1-(ethylamino)-3,3-dimethyl-1-oxobutan-2-yl]indazole-3-carboxamide?
The InChIKey is UZSMXULHEXDRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2.C4H8/c1-6-19-17(24)15(18(3,4)5)20-16(23)14-12-10-8-9-11-13(12)22(7-2)21-14;1-3-4-2/h8-11,15H,6-7H2,1-5H3,(H,19,24)(H,20,23);3H,1,4H2,2H3.
What are the key properties of but-1-ene;1-ethyl-N-[1-(ethylamino)-3,3-dimethyl-1-oxobutan-2-yl]indazole-3-carboxamide?
but-1-ene;1-ethyl-N-[1-(ethylamino)-3,3-dimethyl-1-oxobutan-2-yl]indazole-3-carboxamide has a molecular weight of 386.54 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-ene;1-ethyl-N-[1-(ethylamino)-3,3-dimethyl-1-oxobutan-2-yl]indazole-3-carboxamide is sourced from PubChem (CID 169175691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).