N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-5-(phenoxymethyl)furan-2-carboxamide

C23H21N3O4 — CID 135725844

IUPACN-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-5-(phenoxymethyl)furan-2-carboxamide
SMILESCC(C)n1c(O)c(/N=N/C(=O)c2ccc(COc3ccccc3)o2)c2ccccc21
InChIInChI=1S/C23H21N3O4/c1-15(2)26-19-11-7-6-10-18(19)21(23(26)28)24-25-22(27)20-13-12-17(30-20)14-29-16-8-4-3-5-9-16/h3-13,15,28H,14H2,1-2H3/b25-24+
InChIKeyDJCFKZGETPAPRX-OCOZRVBESA-N
MW403.44 g/mol
LogP6.02
Rot. Bonds6

About N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-5-(phenoxymethyl)furan-2-carboxamide

N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-5-(phenoxymethyl)furan-2-carboxamide (PubChem CID 135725844) has the molecular formula C23H21N3O4 and a molecular weight of 403.44 g/mol. Its IUPAC name is N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-5-(phenoxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-5-(phenoxymethyl)furan-2-carboxamide
PubChem CID135725844
Molecular FormulaC23H21N3O4
Molecular Weight403.44 g/mol
Exact Mass403.15
IUPAC NameN-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-5-(phenoxymethyl)furan-2-carboxamide
SMILESCC(C)n1c(O)c(/N=N/C(=O)c2ccc(COc3ccccc3)o2)c2ccccc21
InChIInChI=1S/C23H21N3O4/c1-15(2)26-19-11-7-6-10-18(19)21(23(26)28)24-25-22(27)20-13-12-17(30-20)14-29-16-8-4-3-5-9-16/h3-13,15,28H,14H2,1-2H3/b25-24+
InChIKeyDJCFKZGETPAPRX-OCOZRVBESA-N
XLogP6.02
TPSA89.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.44
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

4-[(4-ethoxyphenoxy)methyl]-N-(2-hydroxy-1-propan-2-ylindol-3-yl)iminobenzamide
CID 3515590
N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-2-(1-methylpyrrol-2-yl)acetamide
CID 135620100
N-methyl-5-(phenoxymethyl)furan-2-carboxamide
CID 7678218
N'-(4-methylbenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 7979169
N-[1-[(dibenzylamino)methyl]-2-hydroxyindol-3-yl]iminofuran-2-carboxamide
CID 3312378
1-ethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]indole-2-carbohydrazide
CID 55928950
N-methyl-5-(phenoxymethyl)-N-phenylfuran-2-carboxamide
CID 31529020
N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 24607659
4-chloro-3-[(2-hydroxy-1-propan-2-ylindol-3-yl)diazenyl]benzoic acid
CID 135846205
2-[[5-(phenoxymethyl)furan-2-carbonyl]amino]acetic acid
CID 82043257
N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]-5-(phenoxymethyl)furan-2-carboxamide
CID 135725831
N'-(2-methoxyacetyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 31466053

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-5-(phenoxymethyl)furan-2-carboxamide?
The IUPAC name of N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-5-(phenoxymethyl)furan-2-carboxamide (CID 135725844) is N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-5-(phenoxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-5-(phenoxymethyl)furan-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-5-(phenoxymethyl)furan-2-carboxamide is CC(C)n1c(O)c(/N=N/C(=O)c2ccc(COc3ccccc3)o2)c2ccccc21.
What is the InChIKey of N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-5-(phenoxymethyl)furan-2-carboxamide?
The InChIKey is DJCFKZGETPAPRX-OCOZRVBESA-N. The full InChI is InChI=1S/C23H21N3O4/c1-15(2)26-19-11-7-6-10-18(19)21(23(26)28)24-25-22(27)20-13-12-17(30-20)14-29-16-8-4-3-5-9-16/h3-13,15,28H,14H2,1-2H3/b25-24+.
What are the key properties of N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-5-(phenoxymethyl)furan-2-carboxamide?
N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-5-(phenoxymethyl)furan-2-carboxamide has a molecular weight of 403.44 g/mol, XLogP of 6.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-5-(phenoxymethyl)furan-2-carboxamide is sourced from PubChem (CID 135725844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).