2-methyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]-1H-indole-3-carbohydrazide

C22H19N3O4 — CID 26808263

IUPAC2-methyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]-1H-indole-3-carbohydrazide
SMILESCc1[nH]c2ccccc2c1C(=O)NNC(=O)c1ccc(COc2ccccc2)o1
InChIInChI=1S/C22H19N3O4/c1-14-20(17-9-5-6-10-18(17)23-14)22(27)25-24-21(26)19-12-11-16(29-19)13-28-15-7-3-2-4-8-15/h2-12,23H,13H2,1H3,(H,24,26)(H,25,27)
InChIKeyGROBNRPXFFJBBI-UHFFFAOYSA-N
MW389.41 g/mol
LogP3.72
Rot. Bonds5

About 2-methyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]-1H-indole-3-carbohydrazide

2-methyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]-1H-indole-3-carbohydrazide (PubChem CID 26808263) has the molecular formula C22H19N3O4 and a molecular weight of 389.41 g/mol. Its IUPAC name is 2-methyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]-1H-indole-3-carbohydrazide.

Molecular Properties

Compound Name2-methyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]-1H-indole-3-carbohydrazide
PubChem CID26808263
Molecular FormulaC22H19N3O4
Molecular Weight389.41 g/mol
Exact Mass389.14
IUPAC Name2-methyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]-1H-indole-3-carbohydrazide
SMILESCc1[nH]c2ccccc2c1C(=O)NNC(=O)c1ccc(COc2ccccc2)o1
InChIInChI=1S/C22H19N3O4/c1-14-20(17-9-5-6-10-18(17)23-14)22(27)25-24-21(26)19-12-11-16(29-19)13-28-15-7-3-2-4-8-15/h2-12,23H,13H2,1H3,(H,24,26)(H,25,27)
InChIKeyGROBNRPXFFJBBI-UHFFFAOYSA-N
XLogP3.72
TPSA96.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 5-(phenoxymethyl)furan-2-carboxylate
CID 7468756
4-acetyl-3,5-dimethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]-1H-pyrrole-2-carbohydrazide
CID 31466059
N'-(4-methylbenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 7979169
N-methyl-5-(phenoxymethyl)furan-2-carboxamide
CID 7678218
N'-(2-methoxyacetyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 31466053
N'-[2-(2-methylphenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 18204877
N'-benzoyl-5-[(4-fluorophenoxy)methyl]furan-2-carbohydrazide
CID 27555711
2-methyl-N-phenylmethoxy-1H-indole-3-carboxamide
CID 32579620
N'-[2-(4-hydroxyphenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 78822023
N'-[2-(4-ethylphenoxy)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 26717724
N'-[2-(4-ethoxyphenoxy)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 9219862
1-cyclopropyl-3-[[5-(phenoxymethyl)furan-2-carbonyl]amino]urea
CID 36873362

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]-1H-indole-3-carbohydrazide?
The IUPAC name of 2-methyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]-1H-indole-3-carbohydrazide (CID 26808263) is 2-methyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]-1H-indole-3-carbohydrazide.
What is the SMILES notation for 2-methyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]-1H-indole-3-carbohydrazide?
The canonical SMILES for 2-methyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]-1H-indole-3-carbohydrazide is Cc1[nH]c2ccccc2c1C(=O)NNC(=O)c1ccc(COc2ccccc2)o1.
What is the InChIKey of 2-methyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]-1H-indole-3-carbohydrazide?
The InChIKey is GROBNRPXFFJBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4/c1-14-20(17-9-5-6-10-18(17)23-14)22(27)25-24-21(26)19-12-11-16(29-19)13-28-15-7-3-2-4-8-15/h2-12,23H,13H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 2-methyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]-1H-indole-3-carbohydrazide?
2-methyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]-1H-indole-3-carbohydrazide has a molecular weight of 389.41 g/mol, XLogP of 3.72, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]-1H-indole-3-carbohydrazide is sourced from PubChem (CID 26808263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).