2-(dimethylamino)-3-methylbutanamide;7-[3-[1-ethyl-3-(3-hydroxy-2,2-dimethylpropyl)-2-[2-(2-methoxyethyl)phenyl]indol-5-yl]-5-hydroxyphenyl]-2-methylheptanal;formaldehyde;hydrazine;2-(2-oxoethyl)guanidine

C49H78N8O7 — CID 156736572

IUPAC2-(dimethylamino)-3-methylbutanamide;7-[3-[1-ethyl-3-(3-hydroxy-2,2-dimethylpropyl)-2-[2-(2-methoxyethyl)phenyl]indol-5-yl]-5-hydroxyphenyl]-2-methylheptanal;formaldehyde;hydrazine;2-(2-oxoethyl)guanidine
SMILESC=O.CC(C)C(C(N)=O)N(C)C.CCn1c(-c2ccccc2CCOC)c(CC(C)(C)CO)c2cc(-c3cc(O)cc(CCCCCC(C)C=O)c3)ccc21.NC(N)=NCC=O.NN
InChIInChI=1S/C38H49NO4.C7H16N2O.C3H7N3O.CH2O.H4N2/c1-6-39-36-17-16-30(31-20-28(21-32(42)22-31)13-9-7-8-12-27(2)25-40)23-34(36)35(24-38(3,4)26-41)37(39)33-15-11-10-14-29(33)18-19-43-5;1-5(2)6(7(8)10)9(3)4;4-3(5)6-1-2-7;2*1-2/h10-11,14-17,20-23,25,27,41-42H,6-9,12-13,18-19,24,26H2,1-5H3;5-6H,1-4H3,(H2,8,10);2H,1H2,(H4,4,5,6);1H2;1-2H2
InChIKeyHFPNOADVKPLWAR-UHFFFAOYSA-N
MW891.21 g/mol
LogP5.54
Rot. Bonds21

About 2-(dimethylamino)-3-methylbutanamide;7-[3-[1-ethyl-3-(3-hydroxy-2,2-dimethylpropyl)-2-[2-(2-methoxyethyl)phenyl]indol-5-yl]-5-hydroxyphenyl]-2-methylheptanal;formaldehyde;hydrazine;2-(2-oxoethyl)guanidine

2-(dimethylamino)-3-methylbutanamide;7-[3-[1-ethyl-3-(3-hydroxy-2,2-dimethylpropyl)-2-[2-(2-methoxyethyl)phenyl]indol-5-yl]-5-hydroxyphenyl]-2-methylheptanal;formaldehyde;hydrazine;2-(2-oxoethyl)guanidine (PubChem CID 156736572) has the molecular formula C49H78N8O7 and a molecular weight of 891.21 g/mol. Its IUPAC name is 2-(dimethylamino)-3-methylbutanamide;7-[3-[1-ethyl-3-(3-hydroxy-2,2-dimethylpropyl)-2-[2-(2-methoxyethyl)phenyl]indol-5-yl]-5-hydroxyphenyl]-2-methylheptanal;formaldehyde;hydrazine;2-(2-oxoethyl)guanidine.

Molecular Properties

Compound Name2-(dimethylamino)-3-methylbutanamide;7-[3-[1-ethyl-3-(3-hydroxy-2,2-dimethylpropyl)-2-[2-(2-methoxyethyl)phenyl]indol-5-yl]-5-hydroxyphenyl]-2-methylheptanal;formaldehyde;hydrazine;2-(2-oxoethyl)guanidine
PubChem CID156736572
Molecular FormulaC49H78N8O7
Molecular Weight891.21 g/mol
Exact Mass890.60
IUPAC Name2-(dimethylamino)-3-methylbutanamide;7-[3-[1-ethyl-3-(3-hydroxy-2,2-dimethylpropyl)-2-[2-(2-methoxyethyl)phenyl]indol-5-yl]-5-hydroxyphenyl]-2-methylheptanal;formaldehyde;hydrazine;2-(2-oxoethyl)guanidine
SMILESC=O.CC(C)C(C(N)=O)N(C)C.CCn1c(-c2ccccc2CCOC)c(CC(C)(C)CO)c2cc(-c3cc(O)cc(CCCCCC(C)C=O)c3)ccc21.NC(N)=NCC=O.NN
InChIInChI=1S/C38H49NO4.C7H16N2O.C3H7N3O.CH2O.H4N2/c1-6-39-36-17-16-30(31-20-28(21-32(42)22-31)13-9-7-8-12-27(2)25-40)23-34(36)35(24-38(3,4)26-41)37(39)33-15-11-10-14-29(33)18-19-43-5;1-5(2)6(7(8)10)9(3)4;4-3(5)6-1-2-7;2*1-2/h10-11,14-17,20-23,25,27,41-42H,6-9,12-13,18-19,24,26H2,1-5H3;5-6H,1-4H3,(H2,8,10);2H,1H2,(H4,4,5,6);1H2;1-2H2
InChIKeyHFPNOADVKPLWAR-UHFFFAOYSA-N
XLogP5.54
TPSA268.60 Ų
H-Bond Donors7
H-Bond Acceptors12
Rotatable Bonds21
Heavy Atoms64
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500891.21
LogP ≤ 55.54
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-3-methylbutanamide;7-[3-[1-ethyl-3-(3-hydroxy-2,2-dimethylpropyl)-2-[2-(2-methoxyethyl)phenyl]indol-5-yl]-5-hydroxyphenyl]-2-methylheptanal;formaldehyde;hydrazine;2-(2-oxoethyl)guanidine?
The IUPAC name of 2-(dimethylamino)-3-methylbutanamide;7-[3-[1-ethyl-3-(3-hydroxy-2,2-dimethylpropyl)-2-[2-(2-methoxyethyl)phenyl]indol-5-yl]-5-hydroxyphenyl]-2-methylheptanal;formaldehyde;hydrazine;2-(2-oxoethyl)guanidine (CID 156736572) is 2-(dimethylamino)-3-methylbutanamide;7-[3-[1-ethyl-3-(3-hydroxy-2,2-dimethylpropyl)-2-[2-(2-methoxyethyl)phenyl]indol-5-yl]-5-hydroxyphenyl]-2-methylheptanal;formaldehyde;hydrazine;2-(2-oxoethyl)guanidine.
What is the SMILES notation for 2-(dimethylamino)-3-methylbutanamide;7-[3-[1-ethyl-3-(3-hydroxy-2,2-dimethylpropyl)-2-[2-(2-methoxyethyl)phenyl]indol-5-yl]-5-hydroxyphenyl]-2-methylheptanal;formaldehyde;hydrazine;2-(2-oxoethyl)guanidine?
The canonical SMILES for 2-(dimethylamino)-3-methylbutanamide;7-[3-[1-ethyl-3-(3-hydroxy-2,2-dimethylpropyl)-2-[2-(2-methoxyethyl)phenyl]indol-5-yl]-5-hydroxyphenyl]-2-methylheptanal;formaldehyde;hydrazine;2-(2-oxoethyl)guanidine is C=O.CC(C)C(C(N)=O)N(C)C.CCn1c(-c2ccccc2CCOC)c(CC(C)(C)CO)c2cc(-c3cc(O)cc(CCCCCC(C)C=O)c3)ccc21.NC(N)=NCC=O.NN.
What is the InChIKey of 2-(dimethylamino)-3-methylbutanamide;7-[3-[1-ethyl-3-(3-hydroxy-2,2-dimethylpropyl)-2-[2-(2-methoxyethyl)phenyl]indol-5-yl]-5-hydroxyphenyl]-2-methylheptanal;formaldehyde;hydrazine;2-(2-oxoethyl)guanidine?
The InChIKey is HFPNOADVKPLWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H49NO4.C7H16N2O.C3H7N3O.CH2O.H4N2/c1-6-39-36-17-16-30(31-20-28(21-32(42)22-31)13-9-7-8-12-27(2)25-40)23-34(36)35(24-38(3,4)26-41)37(39)33-15-11-10-14-29(33)18-19-43-5;1-5(2)6(7(8)10)9(3)4;4-3(5)6-1-2-7;2*1-2/h10-11,14-17,20-23,25,27,41-42H,6-9,12-13,18-19,24,26H2,1-5H3;5-6H,1-4H3,(H2,8,10);2H,1H2,(H4,4,5,6);1H2;1-2H2.
What are the key properties of 2-(dimethylamino)-3-methylbutanamide;7-[3-[1-ethyl-3-(3-hydroxy-2,2-dimethylpropyl)-2-[2-(2-methoxyethyl)phenyl]indol-5-yl]-5-hydroxyphenyl]-2-methylheptanal;formaldehyde;hydrazine;2-(2-oxoethyl)guanidine?
2-(dimethylamino)-3-methylbutanamide;7-[3-[1-ethyl-3-(3-hydroxy-2,2-dimethylpropyl)-2-[2-(2-methoxyethyl)phenyl]indol-5-yl]-5-hydroxyphenyl]-2-methylheptanal;formaldehyde;hydrazine;2-(2-oxoethyl)guanidine has a molecular weight of 891.21 g/mol, XLogP of 5.54, 21 rotatable bonds, 7 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-3-methylbutanamide;7-[3-[1-ethyl-3-(3-hydroxy-2,2-dimethylpropyl)-2-[2-(2-methoxyethyl)phenyl]indol-5-yl]-5-hydroxyphenyl]-2-methylheptanal;formaldehyde;hydrazine;2-(2-oxoethyl)guanidine is sourced from PubChem (CID 156736572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).