N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-2-(1-methylpyrrol-2-yl)acetamide

C18H20N4O2 — CID 135620100

IUPACN-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-2-(1-methylpyrrol-2-yl)acetamide
SMILESCC(C)n1c(O)c(/N=N/C(=O)Cc2cccn2C)c2ccccc21
InChIInChI=1S/C18H20N4O2/c1-12(2)22-15-9-5-4-8-14(15)17(18(22)24)20-19-16(23)11-13-7-6-10-21(13)3/h4-10,12,24H,11H2,1-3H3/b20-19+
InChIKeyYIBCXEHIOLVVBO-FMQUCBEESA-N
MW324.38 g/mol
LogP4.12
Rot. Bonds4

About N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-2-(1-methylpyrrol-2-yl)acetamide

N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-2-(1-methylpyrrol-2-yl)acetamide (PubChem CID 135620100) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-2-(1-methylpyrrol-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-2-(1-methylpyrrol-2-yl)acetamide
PubChem CID135620100
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-2-(1-methylpyrrol-2-yl)acetamide
SMILESCC(C)n1c(O)c(/N=N/C(=O)Cc2cccn2C)c2ccccc21
InChIInChI=1S/C18H20N4O2/c1-12(2)22-15-9-5-4-8-14(15)17(18(22)24)20-19-16(23)11-13-7-6-10-21(13)3/h4-10,12,24H,11H2,1-3H3/b20-19+
InChIKeyYIBCXEHIOLVVBO-FMQUCBEESA-N
XLogP4.12
TPSA71.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-2-phenylacetamide
CID 726771
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CID 135775403
N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-3-methyl-4-oxophthalazine-1-carboxamide
CID 135582442
1-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-3-methylthiourea
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CID 935067
N,N'-bis[[2-hydroxy-1-(2-methylpropyl)indol-3-yl]imino]pentanediamide
CID 4630970
4-[(4-ethoxyphenoxy)methyl]-N-(2-hydroxy-1-propan-2-ylindol-3-yl)iminobenzamide
CID 3515590
3-benzyl-N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-4-oxophthalazine-1-carboxamide
CID 3350383
N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-5-(phenoxymethyl)furan-2-carboxamide
CID 135725844
N,N'-bis[(5-bromo-2-hydroxy-1-propan-2-ylindol-3-yl)imino]octanediamide
CID 4632186
N-(5-bromo-2-hydroxy-1-propan-2-ylindol-3-yl)imino-2-naphthalen-1-yloxyacetamide
CID 4635422
N,N'-bis[(2-hydroxy-5-methoxy-1-propan-2-ylindol-3-yl)imino]pentanediamide
CID 4505123

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-2-(1-methylpyrrol-2-yl)acetamide?
The IUPAC name of N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-2-(1-methylpyrrol-2-yl)acetamide (CID 135620100) is N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-2-(1-methylpyrrol-2-yl)acetamide.
What is the SMILES notation for N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-2-(1-methylpyrrol-2-yl)acetamide?
The canonical SMILES for N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-2-(1-methylpyrrol-2-yl)acetamide is CC(C)n1c(O)c(/N=N/C(=O)Cc2cccn2C)c2ccccc21.
What is the InChIKey of N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-2-(1-methylpyrrol-2-yl)acetamide?
The InChIKey is YIBCXEHIOLVVBO-FMQUCBEESA-N. The full InChI is InChI=1S/C18H20N4O2/c1-12(2)22-15-9-5-4-8-14(15)17(18(22)24)20-19-16(23)11-13-7-6-10-21(13)3/h4-10,12,24H,11H2,1-3H3/b20-19+.
What are the key properties of N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-2-(1-methylpyrrol-2-yl)acetamide?
N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-2-(1-methylpyrrol-2-yl)acetamide has a molecular weight of 324.38 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-2-(1-methylpyrrol-2-yl)acetamide is sourced from PubChem (CID 135620100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).