N-[(2S)-1-hydrazinyl-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-methoxybenzamide

C19H20N4O3 — CID 7596511

IUPACN-[(2S)-1-hydrazinyl-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NN)cc1
InChIInChI=1S/C19H20N4O3/c1-26-14-8-6-12(7-9-14)18(24)22-17(19(25)23-20)10-13-11-21-16-5-3-2-4-15(13)16/h2-9,11,17,21H,10,20H2,1H3,(H,22,24)(H,23,25)/t17-/m0/s1
InChIKeyYMMBTJFTVVKDIE-KRWDZBQOSA-N
MW352.39 g/mol
LogP1.51
Rot. Bonds6

About N-[(2S)-1-hydrazinyl-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-methoxybenzamide

N-[(2S)-1-hydrazinyl-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-methoxybenzamide (PubChem CID 7596511) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-[(2S)-1-hydrazinyl-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(2S)-1-hydrazinyl-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-methoxybenzamide
PubChem CID7596511
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC NameN-[(2S)-1-hydrazinyl-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NN)cc1
InChIInChI=1S/C19H20N4O3/c1-26-14-8-6-12(7-9-14)18(24)22-17(19(25)23-20)10-13-11-21-16-5-3-2-4-15(13)16/h2-9,11,17,21H,10,20H2,1H3,(H,22,24)(H,23,25)/t17-/m0/s1
InChIKeyYMMBTJFTVVKDIE-KRWDZBQOSA-N
XLogP1.51
TPSA109.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.51
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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Related Compounds

N-[(2R)-1-hydrazinyl-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-propan-2-yloxybenzamide
CID 2024526
methyl (2S)-2-benzamido-3-(1H-indol-3-yl)propanoate
CID 644217
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
4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-N-[3-(1H-indol-3-yl)-1-(4-methoxyanilino)-1-oxopropan-2-yl]benzamide
CID 155547991
(2S)-3-(1H-indol-3-yl)-2-[(4-methoxybenzoyl)carbamothioylamino]propanoic acid
CID 139069173
N-[1-(1H-indol-3-yl)-3-oxobutan-2-yl]benzamide
CID 59929836
tert-butyl N-[(2R)-1-hydrazinyl-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
CID 7109658
methyl (2R)-2-[[(2S)-3-(1H-indol-3-yl)-2-[(4-methylbenzoyl)amino]propanoyl]amino]-3-phenylpropanoate
CID 71697971
[2-(4-methoxyphenyl)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate
CID 4184240
ethyl (2S)-3-(1H-indol-3-yl)-2-[(4-pentoxybenzoyl)amino]propanoate
CID 7587597
2-acetamido-3-(1H-indol-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 4919452

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydrazinyl-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-methoxybenzamide?
The IUPAC name of N-[(2S)-1-hydrazinyl-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-methoxybenzamide (CID 7596511) is N-[(2S)-1-hydrazinyl-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[(2S)-1-hydrazinyl-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-methoxybenzamide?
The canonical SMILES for N-[(2S)-1-hydrazinyl-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-methoxybenzamide is COc1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NN)cc1.
What is the InChIKey of N-[(2S)-1-hydrazinyl-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-methoxybenzamide?
The InChIKey is YMMBTJFTVVKDIE-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-26-14-8-6-12(7-9-14)18(24)22-17(19(25)23-20)10-13-11-21-16-5-3-2-4-15(13)16/h2-9,11,17,21H,10,20H2,1H3,(H,22,24)(H,23,25)/t17-/m0/s1.
What are the key properties of N-[(2S)-1-hydrazinyl-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-methoxybenzamide?
N-[(2S)-1-hydrazinyl-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-methoxybenzamide has a molecular weight of 352.39 g/mol, XLogP of 1.51, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydrazinyl-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-methoxybenzamide is sourced from PubChem (CID 7596511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).