formamide;methyl 2-[3-acetyl-2-ethyl-1-[(E)-2-methylbut-2-enyl]indol-4-yl]oxyacetate;prop-1-ene

C24H34N2O5 — CID 142170560

IUPACformamide;methyl 2-[3-acetyl-2-ethyl-1-[(E)-2-methylbut-2-enyl]indol-4-yl]oxyacetate;prop-1-ene
SMILESC/C=C(\C)Cn1c(CC)c(C(C)=O)c2c(OCC(=O)OC)cccc21.C=CC.NC=O
InChIInChI=1S/C20H25NO4.C3H6.CH3NO/c1-6-13(3)11-21-15(7-2)19(14(4)22)20-16(21)9-8-10-17(20)25-12-18(23)24-5;1-3-2;2-1-3/h6,8-10H,7,11-12H2,1-5H3;3H,1H2,2H3;1H,(H2,2,3)/b13-6+;;
InChIKeyLGXWDQLKDFKTSQ-JNXPPIHMSA-N
MW430.55 g/mol
LogP4.22
Rot. Bonds7

About formamide;methyl 2-[3-acetyl-2-ethyl-1-[(E)-2-methylbut-2-enyl]indol-4-yl]oxyacetate;prop-1-ene

formamide;methyl 2-[3-acetyl-2-ethyl-1-[(E)-2-methylbut-2-enyl]indol-4-yl]oxyacetate;prop-1-ene (PubChem CID 142170560) has the molecular formula C24H34N2O5 and a molecular weight of 430.55 g/mol. Its IUPAC name is formamide;methyl 2-[3-acetyl-2-ethyl-1-[(E)-2-methylbut-2-enyl]indol-4-yl]oxyacetate;prop-1-ene.

Molecular Properties

Compound Nameformamide;methyl 2-[3-acetyl-2-ethyl-1-[(E)-2-methylbut-2-enyl]indol-4-yl]oxyacetate;prop-1-ene
PubChem CID142170560
Molecular FormulaC24H34N2O5
Molecular Weight430.55 g/mol
Exact Mass430.25
IUPAC Nameformamide;methyl 2-[3-acetyl-2-ethyl-1-[(E)-2-methylbut-2-enyl]indol-4-yl]oxyacetate;prop-1-ene
SMILESC/C=C(\C)Cn1c(CC)c(C(C)=O)c2c(OCC(=O)OC)cccc21.C=CC.NC=O
InChIInChI=1S/C20H25NO4.C3H6.CH3NO/c1-6-13(3)11-21-15(7-2)19(14(4)22)20-16(21)9-8-10-17(20)25-12-18(23)24-5;1-3-2;2-1-3/h6,8-10H,7,11-12H2,1-5H3;3H,1H2,2H3;1H,(H2,2,3)/b13-6+;;
InChIKeyLGXWDQLKDFKTSQ-JNXPPIHMSA-N
XLogP4.22
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

methyl 2-[1-benzyl-3-(C-carbamoyl-N-methylcarbonimidoyl)-2-ethylindol-4-yl]oxyacetate
CID 20637280
trideuteriomethyl 2-[1-[dideuterio-(2,3,4,5,6-pentadeuteriophenyl)methyl]-2-ethyl-3-oxamoylindol-4-yl]oxyacetate
CID 56925188
methyl 2-[1-[dideuterio(phenyl)methyl]-3-oxamoyl-2-(2,2,2-trideuterioethyl)indol-4-yl]oxyacetate
CID 56925221
methyl 1-benzyl-4-(2-methoxy-2-oxoethoxy)-2-methylindole-3-carboxylate
CID 58895959
2-[1-benzyl-2-ethyl-4-(2-oxopropoxy)indol-3-yl]-2-oxoacetamide
CID 20592741
methyl 2-[1-[dideuterio(phenyl)methyl]-3-oxamoyl-2-(1,1,2,2,2-pentadeuterioethyl)indol-4-yl]oxyacetate
CID 56925137
dimethyl (2S)-2-[[2-(1-benzyl-2-ethyl-3-oxamoylindol-4-yl)oxyacetyl]amino]butanedioate
CID 59101573
methyl 2-[[2-(1-benzyl-2-ethyl-3-oxamoylindol-4-yl)oxyacetyl]amino]-3-methylpentanoate
CID 18008135
methyl 2-[1-[(2-chlorophenyl)methyl]-2-methyl-3-oxamoylindol-4-yl]oxyacetate
CID 10811760
methyl 2-[3-(2-chloro-2-oxoacetyl)-2-methyl-1-[(2-methylphenyl)methyl]indol-4-yl]oxyacetate
CID 10764248
2-[1-benzyl-3-(C-carbamoyl-N-hydroxycarbonimidoyl)-2-ethylindol-4-yl]oxyacetic acid;2-[1-benzyl-3-[(Z)-C-carbamoyl-N-methoxycarbonimidoyl]-2-ethylindol-4-yl]oxyacetic acid
CID 172923558
methyl 2-[[1-carbamoyl-4-[(3,5-dimethylphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indol-8-yl]oxy]acetate
CID 91059457

Frequently Asked Questions

What is the IUPAC name of formamide;methyl 2-[3-acetyl-2-ethyl-1-[(E)-2-methylbut-2-enyl]indol-4-yl]oxyacetate;prop-1-ene?
The IUPAC name of formamide;methyl 2-[3-acetyl-2-ethyl-1-[(E)-2-methylbut-2-enyl]indol-4-yl]oxyacetate;prop-1-ene (CID 142170560) is formamide;methyl 2-[3-acetyl-2-ethyl-1-[(E)-2-methylbut-2-enyl]indol-4-yl]oxyacetate;prop-1-ene.
What is the SMILES notation for formamide;methyl 2-[3-acetyl-2-ethyl-1-[(E)-2-methylbut-2-enyl]indol-4-yl]oxyacetate;prop-1-ene?
The canonical SMILES for formamide;methyl 2-[3-acetyl-2-ethyl-1-[(E)-2-methylbut-2-enyl]indol-4-yl]oxyacetate;prop-1-ene is C/C=C(\C)Cn1c(CC)c(C(C)=O)c2c(OCC(=O)OC)cccc21.C=CC.NC=O.
What is the InChIKey of formamide;methyl 2-[3-acetyl-2-ethyl-1-[(E)-2-methylbut-2-enyl]indol-4-yl]oxyacetate;prop-1-ene?
The InChIKey is LGXWDQLKDFKTSQ-JNXPPIHMSA-N. The full InChI is InChI=1S/C20H25NO4.C3H6.CH3NO/c1-6-13(3)11-21-15(7-2)19(14(4)22)20-16(21)9-8-10-17(20)25-12-18(23)24-5;1-3-2;2-1-3/h6,8-10H,7,11-12H2,1-5H3;3H,1H2,2H3;1H,(H2,2,3)/b13-6+;;.
What are the key properties of formamide;methyl 2-[3-acetyl-2-ethyl-1-[(E)-2-methylbut-2-enyl]indol-4-yl]oxyacetate;prop-1-ene?
formamide;methyl 2-[3-acetyl-2-ethyl-1-[(E)-2-methylbut-2-enyl]indol-4-yl]oxyacetate;prop-1-ene has a molecular weight of 430.55 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formamide;methyl 2-[3-acetyl-2-ethyl-1-[(E)-2-methylbut-2-enyl]indol-4-yl]oxyacetate;prop-1-ene is sourced from PubChem (CID 142170560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).