1-ethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]indole-2-carbohydrazide

C23H21N3O4 — CID 55928950

IUPAC1-ethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]indole-2-carbohydrazide
SMILESCCn1c(C(=O)NNC(=O)c2ccc(COc3ccccc3)o2)cc2ccccc21
InChIInChI=1S/C23H21N3O4/c1-2-26-19-11-7-6-8-16(19)14-20(26)22(27)24-25-23(28)21-13-12-18(30-21)15-29-17-9-4-3-5-10-17/h3-14H,2,15H2,1H3,(H,24,27)(H,25,28)
InChIKeyPJJNSGWWWYDKMP-UHFFFAOYSA-N
MW403.44 g/mol
LogP3.91
Rot. Bonds6

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

1-ethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]indole-2-carbohydrazide (PubChem CID 55928950) has the molecular formula C23H21N3O4 and a molecular weight of 403.44 g/mol. Its IUPAC name is 1-ethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]indole-2-carbohydrazide.

Molecular Properties

Compound Name1-ethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]indole-2-carbohydrazide
PubChem CID55928950
Molecular FormulaC23H21N3O4
Molecular Weight403.44 g/mol
Exact Mass403.15
IUPAC Name1-ethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]indole-2-carbohydrazide
SMILESCCn1c(C(=O)NNC(=O)c2ccc(COc3ccccc3)o2)cc2ccccc21
InChIInChI=1S/C23H21N3O4/c1-2-26-19-11-7-6-8-16(19)14-20(26)22(27)24-25-23(28)21-13-12-18(30-21)15-29-17-9-4-3-5-10-17/h3-14H,2,15H2,1H3,(H,24,27)(H,25,28)
InChIKeyPJJNSGWWWYDKMP-UHFFFAOYSA-N
XLogP3.91
TPSA85.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-5-(phenoxymethyl)furan-2-carboxamide
CID 7678218
N'-(2-methoxyacetyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 31466053
N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 24607659
N'-[2-(4-ethylphenoxy)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 26717724
N'-[2-(4-ethoxyphenoxy)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 9219862
N'-(4-methylbenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 7979169
1-ethylindole-2-carbohydrazide
CID 166595239
N'-(4-butoxybenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 9219874
5-(phenoxymethyl)-N'-(3-propoxybenzoyl)furan-2-carbohydrazide
CID 55788976
2-oxo-N'-[5-(phenoxymethyl)furan-2-carbonyl]chromene-3-carbohydrazide
CID 4795712
2-[[5-(phenoxymethyl)furan-2-carbonyl]amino]acetic acid
CID 82043257
N'-[5-(phenoxymethyl)furan-2-carbonyl]quinoline-2-carbohydrazide
CID 9219810

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]indole-2-carbohydrazide?
The IUPAC name of 1-ethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]indole-2-carbohydrazide (CID 55928950) is 1-ethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]indole-2-carbohydrazide.
What is the SMILES notation for 1-ethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]indole-2-carbohydrazide?
The canonical SMILES for 1-ethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]indole-2-carbohydrazide is CCn1c(C(=O)NNC(=O)c2ccc(COc3ccccc3)o2)cc2ccccc21.
What is the InChIKey of 1-ethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]indole-2-carbohydrazide?
The InChIKey is PJJNSGWWWYDKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4/c1-2-26-19-11-7-6-8-16(19)14-20(26)22(27)24-25-23(28)21-13-12-18(30-21)15-29-17-9-4-3-5-10-17/h3-14H,2,15H2,1H3,(H,24,27)(H,25,28).
What are the key properties of 1-ethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]indole-2-carbohydrazide?
1-ethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]indole-2-carbohydrazide has a molecular weight of 403.44 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]indole-2-carbohydrazide is sourced from PubChem (CID 55928950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).