2-(1-adamantyl)-N-(2-hydroxy-1-propan-2-ylindol-3-yl)iminoacetamide

C23H29N3O2 — CID 135775403

IUPAC2-(1-adamantyl)-N-(2-hydroxy-1-propan-2-ylindol-3-yl)iminoacetamide
SMILESCC(C)n1c(O)c(/N=N/C(=O)CC23CC4CC(CC(C4)C2)C3)c2ccccc21
InChIInChI=1S/C23H29N3O2/c1-14(2)26-19-6-4-3-5-18(19)21(22(26)28)25-24-20(27)13-23-10-15-7-16(11-23)9-17(8-15)12-23/h3-6,14-17,28H,7-13H2,1-2H3/b25-24+
InChIKeyHMFVOFVULIUSFY-OCOZRVBESA-N
MW379.50 g/mol
LogP6.14
Rot. Bonds4

About 2-(1-adamantyl)-N-(2-hydroxy-1-propan-2-ylindol-3-yl)iminoacetamide

2-(1-adamantyl)-N-(2-hydroxy-1-propan-2-ylindol-3-yl)iminoacetamide (PubChem CID 135775403) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-(2-hydroxy-1-propan-2-ylindol-3-yl)iminoacetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-(2-hydroxy-1-propan-2-ylindol-3-yl)iminoacetamide
PubChem CID135775403
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name2-(1-adamantyl)-N-(2-hydroxy-1-propan-2-ylindol-3-yl)iminoacetamide
SMILESCC(C)n1c(O)c(/N=N/C(=O)CC23CC4CC(CC(C4)C2)C3)c2ccccc21
InChIInChI=1S/C23H29N3O2/c1-14(2)26-19-6-4-3-5-18(19)21(22(26)28)25-24-20(27)13-23-10-15-7-16(11-23)9-17(8-15)12-23/h3-6,14-17,28H,7-13H2,1-2H3/b25-24+
InChIKeyHMFVOFVULIUSFY-OCOZRVBESA-N
XLogP6.14
TPSA66.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.50
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(1-methylpyrrol-2-yl)acetamide
CID 135620100
1-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-3-methylthiourea
CID 3947089
N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-3-methyl-4-oxophthalazine-1-carboxamide
CID 135582442
N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-6-methylpyridine-3-carboxamide
CID 935067
N,N'-bis[[2-hydroxy-1-(2-methylpropyl)indol-3-yl]imino]pentanediamide
CID 4630970
N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-5-(phenoxymethyl)furan-2-carboxamide
CID 135725844
4-[(4-ethoxyphenoxy)methyl]-N-(2-hydroxy-1-propan-2-ylindol-3-yl)iminobenzamide
CID 3515590
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
4-chloro-3-[(2-hydroxy-1-propan-2-ylindol-3-yl)diazenyl]benzoic acid
CID 135846205
1-propan-2-yl-3-[[2-(trifluoromethyl)phenyl]diazenyl]indol-2-ol
CID 3959776
2-(1-adamantyl)-N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]acetamide
CID 135816254

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-(2-hydroxy-1-propan-2-ylindol-3-yl)iminoacetamide?
The IUPAC name of 2-(1-adamantyl)-N-(2-hydroxy-1-propan-2-ylindol-3-yl)iminoacetamide (CID 135775403) is 2-(1-adamantyl)-N-(2-hydroxy-1-propan-2-ylindol-3-yl)iminoacetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-(2-hydroxy-1-propan-2-ylindol-3-yl)iminoacetamide?
The canonical SMILES for 2-(1-adamantyl)-N-(2-hydroxy-1-propan-2-ylindol-3-yl)iminoacetamide is CC(C)n1c(O)c(/N=N/C(=O)CC23CC4CC(CC(C4)C2)C3)c2ccccc21.
What is the InChIKey of 2-(1-adamantyl)-N-(2-hydroxy-1-propan-2-ylindol-3-yl)iminoacetamide?
The InChIKey is HMFVOFVULIUSFY-OCOZRVBESA-N. The full InChI is InChI=1S/C23H29N3O2/c1-14(2)26-19-6-4-3-5-18(19)21(22(26)28)25-24-20(27)13-23-10-15-7-16(11-23)9-17(8-15)12-23/h3-6,14-17,28H,7-13H2,1-2H3/b25-24+.
What are the key properties of 2-(1-adamantyl)-N-(2-hydroxy-1-propan-2-ylindol-3-yl)iminoacetamide?
2-(1-adamantyl)-N-(2-hydroxy-1-propan-2-ylindol-3-yl)iminoacetamide has a molecular weight of 379.50 g/mol, XLogP of 6.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-(2-hydroxy-1-propan-2-ylindol-3-yl)iminoacetamide is sourced from PubChem (CID 135775403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).