N-[1-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide

C20H22N4O4 — CID 4808607

IUPACN-[1-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide
SMILESCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NNC(=O)c1cc(C)oc1C
InChIInChI=1S/C20H22N4O4/c1-11-8-16(12(2)28-11)19(26)23-24-20(27)18(22-13(3)25)9-14-10-21-17-7-5-4-6-15(14)17/h4-8,10,18,21H,9H2,1-3H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyVAWRVCNMLTVQAE-UHFFFAOYSA-N
MW382.42 g/mol
LogP1.89
Rot. Bonds5

About N-[1-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide

N-[1-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide (PubChem CID 4808607) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-[1-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide
PubChem CID4808607
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC NameN-[1-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide
SMILESCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NNC(=O)c1cc(C)oc1C
InChIInChI=1S/C20H22N4O4/c1-11-8-16(12(2)28-11)19(26)23-24-20(27)18(22-13(3)25)9-14-10-21-17-7-5-4-6-15(14)17/h4-8,10,18,21H,9H2,1-3H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyVAWRVCNMLTVQAE-UHFFFAOYSA-N
XLogP1.89
TPSA116.23 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 51.89
H-Bond Donors ≤ 54
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)-2-acetamido-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide
CID 40720853
N-[1-(2-acetylhydrazinyl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-chlorobenzamide
CID 43011742
2-acetamido-N-(3,5-dimethylphenyl)-3-(1H-indol-3-yl)propanamide
CID 51163813
2-chloro-N-[1-[(2,5-dimethylfuran-3-yl)methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide
CID 86951550
2-acetamido-3-(1H-indol-3-yl)-N-phenylpropanamide
CID 46449928
N-[3-(1H-indol-3-yl)-1-[2-(3-methyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-1-oxopropan-2-yl]acetamide
CID 4855798
2-acetamido-N-[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]-3-(1H-indol-3-yl)propanamide
CID 23276981
N-[2-[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]ethyl]-2-chlorobenzamide
CID 46442024
2-acetamido-3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide
CID 4224605
2-acetamido-3-(1H-indol-3-yl)-N-[1-(2-methylphenyl)ethyl]propanamide
CID 51164456
2-acetamido-N-(4-acetamido-3-methylphenyl)-3-(1H-indol-3-yl)propanamide
CID 46421755
(2S)-2-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-3-(1H-indol-3-yl)propanamide
CID 990959

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide?
The IUPAC name of N-[1-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide (CID 4808607) is N-[1-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide.
What is the SMILES notation for N-[1-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide?
The canonical SMILES for N-[1-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide is CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NNC(=O)c1cc(C)oc1C.
What is the InChIKey of N-[1-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide?
The InChIKey is VAWRVCNMLTVQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-11-8-16(12(2)28-11)19(26)23-24-20(27)18(22-13(3)25)9-14-10-21-17-7-5-4-6-15(14)17/h4-8,10,18,21H,9H2,1-3H3,(H,22,25)(H,23,26)(H,24,27).
What are the key properties of N-[1-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide?
N-[1-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide has a molecular weight of 382.42 g/mol, XLogP of 1.89, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide is sourced from PubChem (CID 4808607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).