1-[(2S)-1-[2-(3-amino-3-oxopropyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-4-methoxyindole-2-carboxamide

C19H27N5O4 — CID 172745687

IUPAC1-[(2S)-1-[2-(3-amino-3-oxopropyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-4-methoxyindole-2-carboxamide
SMILESCOc1cccc2c1cc(C(N)=O)n2[C@@H](CC(C)C)C(=O)NNCCC(N)=O
InChIInChI=1S/C19H27N5O4/c1-11(2)9-15(19(27)23-22-8-7-17(20)25)24-13-5-4-6-16(28-3)12(13)10-14(24)18(21)26/h4-6,10-11,15,22H,7-9H2,1-3H3,(H2,20,25)(H2,21,26)(H,23,27)/t15-/m0/s1
InChIKeyJROXOQJVYJGASR-HNNXBMFYSA-N
MW389.46 g/mol
LogP0.83
Rot. Bonds10

About 1-[(2S)-1-[2-(3-amino-3-oxopropyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-4-methoxyindole-2-carboxamide

1-[(2S)-1-[2-(3-amino-3-oxopropyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-4-methoxyindole-2-carboxamide (PubChem CID 172745687) has the molecular formula C19H27N5O4 and a molecular weight of 389.46 g/mol. Its IUPAC name is 1-[(2S)-1-[2-(3-amino-3-oxopropyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-4-methoxyindole-2-carboxamide.

Molecular Properties

Compound Name1-[(2S)-1-[2-(3-amino-3-oxopropyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-4-methoxyindole-2-carboxamide
PubChem CID172745687
Molecular FormulaC19H27N5O4
Molecular Weight389.46 g/mol
Exact Mass389.21
IUPAC Name1-[(2S)-1-[2-(3-amino-3-oxopropyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-4-methoxyindole-2-carboxamide
SMILESCOc1cccc2c1cc(C(N)=O)n2[C@@H](CC(C)C)C(=O)NNCCC(N)=O
InChIInChI=1S/C19H27N5O4/c1-11(2)9-15(19(27)23-22-8-7-17(20)25)24-13-5-4-6-16(28-3)12(13)10-14(24)18(21)26/h4-6,10-11,15,22H,7-9H2,1-3H3,(H2,20,25)(H2,21,26)(H,23,27)/t15-/m0/s1
InChIKeyJROXOQJVYJGASR-HNNXBMFYSA-N
XLogP0.83
TPSA141.47 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 50.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[(2S)-1-[2-(3-amino-3-oxopropyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-4-methoxyindole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2S)-1-[[1-amino-1-oxo-3-(1H-pyrazol-5-yl)propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxyindole-2-carboxamide
CID 175871154
1-[1-[[2-[(3S)-1-acetyl-2-oxopyrrolidin-3-yl]-1-(2-oxo-1,3-dioxol-4-yl)ethyl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxyindole-2-carboxamide
CID 175373994
4-methoxy-1-(3-methylbutyl)indole-2-carboxamide
CID 175749965
(2R)-N-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]-4-methyl-2-pyrrol-1-ylpentanamide
CID 128963077
2-(2,6-dimethoxyphenoxy)propanehydrazide
CID 63575102
2-(4-methoxy-1-propan-2-ylindol-2-yl)acetaldehyde
CID 117194619
2-(4-methoxy-1-propan-2-ylindol-2-yl)ethanamine
CID 83918678
4-[(2-methoxyphenyl)methylamino]butanamide
CID 60863188
4-methoxy-1-propan-2-ylindole-2-carbaldehyde
CID 83917293
methyl 4-methoxy-1-phenylindole-2-carboxylate
CID 10493073
N-[2-(2-methoxyphenoxy)ethyl]-2-methylpropanamide
CID 113099759
4-(4-methoxyindol-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 83162352

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-[2-(3-amino-3-oxopropyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-4-methoxyindole-2-carboxamide?
The IUPAC name of 1-[(2S)-1-[2-(3-amino-3-oxopropyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-4-methoxyindole-2-carboxamide (CID 172745687) is 1-[(2S)-1-[2-(3-amino-3-oxopropyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-4-methoxyindole-2-carboxamide.
What is the SMILES notation for 1-[(2S)-1-[2-(3-amino-3-oxopropyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-4-methoxyindole-2-carboxamide?
The canonical SMILES for 1-[(2S)-1-[2-(3-amino-3-oxopropyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-4-methoxyindole-2-carboxamide is COc1cccc2c1cc(C(N)=O)n2[C@@H](CC(C)C)C(=O)NNCCC(N)=O.
What is the InChIKey of 1-[(2S)-1-[2-(3-amino-3-oxopropyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-4-methoxyindole-2-carboxamide?
The InChIKey is JROXOQJVYJGASR-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H27N5O4/c1-11(2)9-15(19(27)23-22-8-7-17(20)25)24-13-5-4-6-16(28-3)12(13)10-14(24)18(21)26/h4-6,10-11,15,22H,7-9H2,1-3H3,(H2,20,25)(H2,21,26)(H,23,27)/t15-/m0/s1.
What are the key properties of 1-[(2S)-1-[2-(3-amino-3-oxopropyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-4-methoxyindole-2-carboxamide?
1-[(2S)-1-[2-(3-amino-3-oxopropyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-4-methoxyindole-2-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 0.83, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-[2-(3-amino-3-oxopropyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-4-methoxyindole-2-carboxamide is sourced from PubChem (CID 172745687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).