N'-cyclopropyl-4-methoxy-N'-(2-oxopropyl)-1H-indole-2-carbohydrazide

C16H19N3O3 — CID 175458153

IUPACN'-cyclopropyl-4-methoxy-N'-(2-oxopropyl)-1H-indole-2-carbohydrazide
SMILESCOc1cccc2[nH]c(C(=O)NN(CC(C)=O)C3CC3)cc12
InChIInChI=1S/C16H19N3O3/c1-10(20)9-19(11-6-7-11)18-16(21)14-8-12-13(17-14)4-3-5-15(12)22-2/h3-5,8,11,17H,6-7,9H2,1-2H3,(H,18,21)
InChIKeyPGQWQIHKCSLTTK-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.87
Rot. Bonds6

About N'-cyclopropyl-4-methoxy-N'-(2-oxopropyl)-1H-indole-2-carbohydrazide

N'-cyclopropyl-4-methoxy-N'-(2-oxopropyl)-1H-indole-2-carbohydrazide (PubChem CID 175458153) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N'-cyclopropyl-4-methoxy-N'-(2-oxopropyl)-1H-indole-2-carbohydrazide.

Molecular Properties

Compound NameN'-cyclopropyl-4-methoxy-N'-(2-oxopropyl)-1H-indole-2-carbohydrazide
PubChem CID175458153
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN'-cyclopropyl-4-methoxy-N'-(2-oxopropyl)-1H-indole-2-carbohydrazide
SMILESCOc1cccc2[nH]c(C(=O)NN(CC(C)=O)C3CC3)cc12
InChIInChI=1S/C16H19N3O3/c1-10(20)9-19(11-6-7-11)18-16(21)14-8-12-13(17-14)4-3-5-15(12)22-2/h3-5,8,11,17H,6-7,9H2,1-2H3,(H,18,21)
InChIKeyPGQWQIHKCSLTTK-UHFFFAOYSA-N
XLogP1.87
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-4-methoxy-1H-indole-2-carboxamide
CID 110848909
N-[(2S)-1-cyclopropyl-3-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 167238193
4-methoxy-N-[[(2S)-oxolan-2-yl]methyl]-1H-indole-2-carboxamide
CID 7554172
N-(1-aminopropan-2-yl)-4-methoxy-1H-indole-2-carboxamide
CID 110833457
4-methoxy-1H-indole-2-carbonyl chloride
CID 53404354
N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-4-methoxy-1H-indole-2-carboxamide
CID 7646480
N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 124861217
4-methoxy-N-[3-[methylsulfinylcarbonyl-[(2-oxopyrrolidin-3-yl)methyl]amino]-2-oxopropyl]-1H-indole-2-carboxamide
CID 165399275
ethyl 2-(4-methoxy-1H-indol-2-yl)-2-oxoacetate
CID 115072498
N-(4-cyanophenyl)-4-methoxy-1H-indole-2-carboxamide
CID 110864886
4-methoxy-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide
CID 4910202
1H-indol-2-yl-(4-methoxy-1H-indol-2-yl)methanone
CID 11543838

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-4-methoxy-N'-(2-oxopropyl)-1H-indole-2-carbohydrazide?
The IUPAC name of N'-cyclopropyl-4-methoxy-N'-(2-oxopropyl)-1H-indole-2-carbohydrazide (CID 175458153) is N'-cyclopropyl-4-methoxy-N'-(2-oxopropyl)-1H-indole-2-carbohydrazide.
What is the SMILES notation for N'-cyclopropyl-4-methoxy-N'-(2-oxopropyl)-1H-indole-2-carbohydrazide?
The canonical SMILES for N'-cyclopropyl-4-methoxy-N'-(2-oxopropyl)-1H-indole-2-carbohydrazide is COc1cccc2[nH]c(C(=O)NN(CC(C)=O)C3CC3)cc12.
What is the InChIKey of N'-cyclopropyl-4-methoxy-N'-(2-oxopropyl)-1H-indole-2-carbohydrazide?
The InChIKey is PGQWQIHKCSLTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-10(20)9-19(11-6-7-11)18-16(21)14-8-12-13(17-14)4-3-5-15(12)22-2/h3-5,8,11,17H,6-7,9H2,1-2H3,(H,18,21).
What are the key properties of N'-cyclopropyl-4-methoxy-N'-(2-oxopropyl)-1H-indole-2-carbohydrazide?
N'-cyclopropyl-4-methoxy-N'-(2-oxopropyl)-1H-indole-2-carbohydrazide has a molecular weight of 301.35 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-4-methoxy-N'-(2-oxopropyl)-1H-indole-2-carbohydrazide is sourced from PubChem (CID 175458153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).