N,N'-bis[[2-hydroxy-1-(2-methylpropyl)indol-3-yl]imino]pentanediamide

C29H34N6O4 — CID 4630970

IUPACN,N'-bis[[2-hydroxy-1-(2-methylpropyl)indol-3-yl]imino]pentanediamide
SMILESCC(C)Cn1c(O)c(/N=N/C(=O)CCCC(=O)/N=N/c2c(O)n(CC(C)C)c3ccccc23)c2ccccc21
InChIInChI=1S/C29H34N6O4/c1-18(2)16-34-22-12-7-5-10-20(22)26(28(34)38)32-30-24(36)14-9-15-25(37)31-33-27-21-11-6-8-13-23(21)35(29(27)39)17-19(3)4/h5-8,10-13,18-19,38-39H,9,14-17H2,1-4H3/b32-30+,33-31+
InChIKeyCETZAUAOVRNKTN-RRPBDJRISA-N
MW530.63 g/mol
LogP7.41
Rot. Bonds10

About N,N'-bis[[2-hydroxy-1-(2-methylpropyl)indol-3-yl]imino]pentanediamide

N,N'-bis[[2-hydroxy-1-(2-methylpropyl)indol-3-yl]imino]pentanediamide (PubChem CID 4630970) has the molecular formula C29H34N6O4 and a molecular weight of 530.63 g/mol. Its IUPAC name is N,N'-bis[[2-hydroxy-1-(2-methylpropyl)indol-3-yl]imino]pentanediamide.

Molecular Properties

Compound NameN,N'-bis[[2-hydroxy-1-(2-methylpropyl)indol-3-yl]imino]pentanediamide
PubChem CID4630970
Molecular FormulaC29H34N6O4
Molecular Weight530.63 g/mol
Exact Mass530.26
IUPAC NameN,N'-bis[[2-hydroxy-1-(2-methylpropyl)indol-3-yl]imino]pentanediamide
SMILESCC(C)Cn1c(O)c(/N=N/C(=O)CCCC(=O)/N=N/c2c(O)n(CC(C)C)c3ccccc23)c2ccccc21
InChIInChI=1S/C29H34N6O4/c1-18(2)16-34-22-12-7-5-10-20(22)26(28(34)38)32-30-24(36)14-9-15-25(37)31-33-27-21-11-6-8-13-23(21)35(29(27)39)17-19(3)4/h5-8,10-13,18-19,38-39H,9,14-17H2,1-4H3/b32-30+,33-31+
InChIKeyCETZAUAOVRNKTN-RRPBDJRISA-N
XLogP7.41
TPSA133.90 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.63
LogP ≤ 57.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis[[2-hydroxy-5-methyl-1-(2-methylpropyl)indol-3-yl]imino]pentanediamide
CID 4503012
4-[[2-hydroxy-1-(2-methylpropyl)indol-3-yl]diazenyl]benzoic acid
CID 135692431
diethyl-[2-[2-hydroxy-3-(3-methylbutanoyldiazenyl)indol-1-yl]ethyl]azanium
CID 135739771
3-[(4,6-dimethylpyrimidin-2-yl)diazenyl]-1-(2-methylpropyl)indol-2-ol
CID 135823984
1-[2-hydroxy-1-(2-methylpropyl)indol-3-yl]imino-3-(2-methoxyethyl)thiourea
CID 2341281
2-(benzotriazol-1-yl)-N-[2-hydroxy-1-(3-methylbutyl)indol-3-yl]iminoacetamide
CID 135846272
N-(2-hydroxy-1-methylindol-3-yl)imino-3-phenylpropanamide
CID 966588
methyl N-(2-hydroxy-1-pentylindol-3-yl)iminocarbamate
CID 2692604
N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-phenoxyacetamide
CID 963929
3-ethyl-2-[[2-hydroxy-1-(2-methylpropyl)indol-3-yl]diazenyl]quinazolin-4-one
CID 135839900
N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-2-phenylacetamide
CID 726771
N,N'-bis[(2-hydroxy-1-propylindol-3-yl)imino]propanediamide;propanedihydrazide
CID 135810850

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[[2-hydroxy-1-(2-methylpropyl)indol-3-yl]imino]pentanediamide?
The IUPAC name of N,N'-bis[[2-hydroxy-1-(2-methylpropyl)indol-3-yl]imino]pentanediamide (CID 4630970) is N,N'-bis[[2-hydroxy-1-(2-methylpropyl)indol-3-yl]imino]pentanediamide.
What is the SMILES notation for N,N'-bis[[2-hydroxy-1-(2-methylpropyl)indol-3-yl]imino]pentanediamide?
The canonical SMILES for N,N'-bis[[2-hydroxy-1-(2-methylpropyl)indol-3-yl]imino]pentanediamide is CC(C)Cn1c(O)c(/N=N/C(=O)CCCC(=O)/N=N/c2c(O)n(CC(C)C)c3ccccc23)c2ccccc21.
What is the InChIKey of N,N'-bis[[2-hydroxy-1-(2-methylpropyl)indol-3-yl]imino]pentanediamide?
The InChIKey is CETZAUAOVRNKTN-RRPBDJRISA-N. The full InChI is InChI=1S/C29H34N6O4/c1-18(2)16-34-22-12-7-5-10-20(22)26(28(34)38)32-30-24(36)14-9-15-25(37)31-33-27-21-11-6-8-13-23(21)35(29(27)39)17-19(3)4/h5-8,10-13,18-19,38-39H,9,14-17H2,1-4H3/b32-30+,33-31+.
What are the key properties of N,N'-bis[[2-hydroxy-1-(2-methylpropyl)indol-3-yl]imino]pentanediamide?
N,N'-bis[[2-hydroxy-1-(2-methylpropyl)indol-3-yl]imino]pentanediamide has a molecular weight of 530.63 g/mol, XLogP of 7.41, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[[2-hydroxy-1-(2-methylpropyl)indol-3-yl]imino]pentanediamide is sourced from PubChem (CID 4630970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).