N-[(2R)-1-hydrazinyl-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-propan-2-yloxybenzamide

C21H24N4O3 — CID 2024526

IUPACN-[(2R)-1-hydrazinyl-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)NN)cc1
InChIInChI=1S/C21H24N4O3/c1-13(2)28-16-9-7-14(8-10-16)20(26)24-19(21(27)25-22)11-15-12-23-18-6-4-3-5-17(15)18/h3-10,12-13,19,23H,11,22H2,1-2H3,(H,24,26)(H,25,27)/t19-/m1/s1
InChIKeyLCIGOIAKGQKWHM-LJQANCHMSA-N
MW380.45 g/mol
LogP2.29
Rot. Bonds7

About N-[(2R)-1-hydrazinyl-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-propan-2-yloxybenzamide

N-[(2R)-1-hydrazinyl-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-propan-2-yloxybenzamide (PubChem CID 2024526) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-[(2R)-1-hydrazinyl-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[(2R)-1-hydrazinyl-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-propan-2-yloxybenzamide
PubChem CID2024526
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC NameN-[(2R)-1-hydrazinyl-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)NN)cc1
InChIInChI=1S/C21H24N4O3/c1-13(2)28-16-9-7-14(8-10-16)20(26)24-19(21(27)25-22)11-15-12-23-18-6-4-3-5-17(15)18/h3-10,12-13,19,23H,11,22H2,1-2H3,(H,24,26)(H,25,27)/t19-/m1/s1
InChIKeyLCIGOIAKGQKWHM-LJQANCHMSA-N
XLogP2.29
TPSA109.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

N-[(2S)-1-hydrazinyl-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-methoxybenzamide
CID 7596511
methyl (2S)-2-benzamido-3-(1H-indol-3-yl)propanoate
CID 644217
N-[1-(1H-indol-3-yl)-3-oxobutan-2-yl]benzamide
CID 59929836
methyl (2S)-3-(1H-indol-3-yl)-2-[(4-phenylbenzoyl)amino]propanoate
CID 7036310
methyl 2-[(4-aminobenzoyl)amino]-3-(1H-indol-3-yl)propanoate
CID 22418639
tert-butyl N-[(2R)-1-hydrazinyl-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
CID 7109658
ethyl (2S)-3-(1H-indol-3-yl)-2-[(4-pentoxybenzoyl)amino]propanoate
CID 7587597
methyl (2R)-2-[[(2S)-3-(1H-indol-3-yl)-2-[(4-methylbenzoyl)amino]propanoyl]amino]-3-phenylpropanoate
CID 71697971
(2R)-2-[(4-tert-butylbenzoyl)amino]-3-(1H-indol-3-yl)propanoic acid
CID 7303855
N-[(2S)-1-[2-(4-ethoxybenzoyl)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55937049
N-[(2S)-1-(cyclopropylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-fluorobenzamide
CID 110286344
(2-chlorophenyl)methyl 2-benzamido-3-(1H-indol-3-yl)propanoate
CID 19003113

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydrazinyl-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-propan-2-yloxybenzamide?
The IUPAC name of N-[(2R)-1-hydrazinyl-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-propan-2-yloxybenzamide (CID 2024526) is N-[(2R)-1-hydrazinyl-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[(2R)-1-hydrazinyl-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[(2R)-1-hydrazinyl-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)NN)cc1.
What is the InChIKey of N-[(2R)-1-hydrazinyl-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-propan-2-yloxybenzamide?
The InChIKey is LCIGOIAKGQKWHM-LJQANCHMSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-13(2)28-16-9-7-14(8-10-16)20(26)24-19(21(27)25-22)11-15-12-23-18-6-4-3-5-17(15)18/h3-10,12-13,19,23H,11,22H2,1-2H3,(H,24,26)(H,25,27)/t19-/m1/s1.
What are the key properties of N-[(2R)-1-hydrazinyl-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-propan-2-yloxybenzamide?
N-[(2R)-1-hydrazinyl-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-propan-2-yloxybenzamide has a molecular weight of 380.45 g/mol, XLogP of 2.29, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydrazinyl-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 2024526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).