ethyl N-[1-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]carbamate

C18H24N4O4 — CID 46426953

IUPACethyl N-[1-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]carbamate
SMILESCCOC(=O)NC(C(=O)NNC(=O)Cc1c[nH]c2ccccc12)C(C)C
InChIInChI=1S/C18H24N4O4/c1-4-26-18(25)20-16(11(2)3)17(24)22-21-15(23)9-12-10-19-14-8-6-5-7-13(12)14/h5-8,10-11,16,19H,4,9H2,1-3H3,(H,20,25)(H,21,23)(H,22,24)
InChIKeyNUDJIEKIBMYKFL-UHFFFAOYSA-N
MW360.41 g/mol
LogP1.63
Rot. Bonds6

About ethyl N-[1-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]carbamate

ethyl N-[1-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]carbamate (PubChem CID 46426953) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is ethyl N-[1-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]carbamate
PubChem CID46426953
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC Nameethyl N-[1-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]carbamate
SMILESCCOC(=O)NC(C(=O)NNC(=O)Cc1c[nH]c2ccccc12)C(C)C
InChIInChI=1S/C18H24N4O4/c1-4-26-18(25)20-16(11(2)3)17(24)22-21-15(23)9-12-10-19-14-8-6-5-7-13(12)14/h5-8,10-11,16,19H,4,9H2,1-3H3,(H,20,25)(H,21,23)(H,22,24)
InChIKeyNUDJIEKIBMYKFL-UHFFFAOYSA-N
XLogP1.63
TPSA112.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 51.63
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-(4-chloro-2,6-dimethylphenoxy)-N'-[2-(1H-indol-3-yl)acetyl]propanehydrazide
CID 34519138
N'-[2-(1H-indol-3-yl)acetyl]-2-(4-methylphenyl)sulfanylpropanehydrazide
CID 17484675
N-[1-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 51301479
N-(1-ethoxypropan-2-yl)-2-(1H-indol-3-yl)acetamide
CID 47903557
ethyl N-[(2S)-1-anilino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
CID 40830371
ethyl 3-(1H-indol-3-ylmethylamino)-3-oxopropanoate
CID 115138557
ethyl (2S)-3-(1H-indol-3-yl)-2-methylpropanoate
CID 170617475
S-sulfanyl (2S,3S)-2-[[2-(1H-indol-3-yl)acetyl]amino]-3-methylpentanethioate
CID 147372892
[(2R)-3-(1H-indol-3-yl)-1-[[(2R)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]azanium
CID 7031913
N-[(1S)-3-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-oxo-1-phenylpropyl]acetamide
CID 41040985
methyl (2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-methylbutanoate
CID 40592960
benzyl N-[(2S)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
CID 92842715

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]carbamate?
The IUPAC name of ethyl N-[1-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]carbamate (CID 46426953) is ethyl N-[1-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for ethyl N-[1-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]carbamate?
The canonical SMILES for ethyl N-[1-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]carbamate is CCOC(=O)NC(C(=O)NNC(=O)Cc1c[nH]c2ccccc12)C(C)C.
What is the InChIKey of ethyl N-[1-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]carbamate?
The InChIKey is NUDJIEKIBMYKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4/c1-4-26-18(25)20-16(11(2)3)17(24)22-21-15(23)9-12-10-19-14-8-6-5-7-13(12)14/h5-8,10-11,16,19H,4,9H2,1-3H3,(H,20,25)(H,21,23)(H,22,24).
What are the key properties of ethyl N-[1-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]carbamate?
ethyl N-[1-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]carbamate has a molecular weight of 360.41 g/mol, XLogP of 1.63, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 46426953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).