N'-(3-methoxy-4-propoxybenzoyl)-2-methyl-1H-indole-3-carbohydrazide

C21H23N3O4 — CID 26784395

IUPACN'-(3-methoxy-4-propoxybenzoyl)-2-methyl-1H-indole-3-carbohydrazide
SMILESCCCOc1ccc(C(=O)NNC(=O)c2c(C)[nH]c3ccccc23)cc1OC
InChIInChI=1S/C21H23N3O4/c1-4-11-28-17-10-9-14(12-18(17)27-3)20(25)23-24-21(26)19-13(2)22-16-8-6-5-7-15(16)19/h5-10,12,22H,4,11H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyKLLAHUFNWVEJPF-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.35
Rot. Bonds6

About N'-(3-methoxy-4-propoxybenzoyl)-2-methyl-1H-indole-3-carbohydrazide

N'-(3-methoxy-4-propoxybenzoyl)-2-methyl-1H-indole-3-carbohydrazide (PubChem CID 26784395) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is N'-(3-methoxy-4-propoxybenzoyl)-2-methyl-1H-indole-3-carbohydrazide.

Molecular Properties

Compound NameN'-(3-methoxy-4-propoxybenzoyl)-2-methyl-1H-indole-3-carbohydrazide
PubChem CID26784395
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC NameN'-(3-methoxy-4-propoxybenzoyl)-2-methyl-1H-indole-3-carbohydrazide
SMILESCCCOc1ccc(C(=O)NNC(=O)c2c(C)[nH]c3ccccc23)cc1OC
InChIInChI=1S/C21H23N3O4/c1-4-11-28-17-10-9-14(12-18(17)27-3)20(25)23-24-21(26)19-13(2)22-16-8-6-5-7-15(16)19/h5-10,12,22H,4,11H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyKLLAHUFNWVEJPF-UHFFFAOYSA-N
XLogP3.35
TPSA92.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3,4-dimethoxyphenyl)-(2-methyl-1H-indol-3-yl)methanone
CID 15104433
N'-(3-methoxy-4-propoxybenzoyl)-2-methylquinoline-4-carbohydrazide
CID 26621803
N'-benzoyl-4-butoxy-3-methoxybenzohydrazide
CID 9440054
N'-(3-chlorobenzoyl)-3-methoxy-4-propoxybenzohydrazide
CID 26621830
2,3,4-trimethoxy-N'-(3-methoxy-4-propoxybenzoyl)benzohydrazide
CID 9440197
N'-benzoyl-3,4-dipropoxybenzohydrazide
CID 8574890
3-chloro-N'-(3-methoxy-4-propoxybenzoyl)-1-benzothiophene-2-carbohydrazide
CID 43004085
N'-(4-butoxy-3-methoxybenzoyl)naphthalene-1-carbohydrazide
CID 26621633
3-methoxy-N'-(4-methylsulfanylbenzoyl)-4-propoxybenzohydrazide
CID 8621227
N'-[4-(dimethylamino)benzoyl]-3-methoxy-4-propoxybenzohydrazide
CID 25443040
[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 4-ethoxy-3-methoxybenzoate
CID 7416232
[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 4-ethoxy-3-methoxybenzoate
CID 16516112

Frequently Asked Questions

What is the IUPAC name of N'-(3-methoxy-4-propoxybenzoyl)-2-methyl-1H-indole-3-carbohydrazide?
The IUPAC name of N'-(3-methoxy-4-propoxybenzoyl)-2-methyl-1H-indole-3-carbohydrazide (CID 26784395) is N'-(3-methoxy-4-propoxybenzoyl)-2-methyl-1H-indole-3-carbohydrazide.
What is the SMILES notation for N'-(3-methoxy-4-propoxybenzoyl)-2-methyl-1H-indole-3-carbohydrazide?
The canonical SMILES for N'-(3-methoxy-4-propoxybenzoyl)-2-methyl-1H-indole-3-carbohydrazide is CCCOc1ccc(C(=O)NNC(=O)c2c(C)[nH]c3ccccc23)cc1OC.
What is the InChIKey of N'-(3-methoxy-4-propoxybenzoyl)-2-methyl-1H-indole-3-carbohydrazide?
The InChIKey is KLLAHUFNWVEJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-4-11-28-17-10-9-14(12-18(17)27-3)20(25)23-24-21(26)19-13(2)22-16-8-6-5-7-15(16)19/h5-10,12,22H,4,11H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N'-(3-methoxy-4-propoxybenzoyl)-2-methyl-1H-indole-3-carbohydrazide?
N'-(3-methoxy-4-propoxybenzoyl)-2-methyl-1H-indole-3-carbohydrazide has a molecular weight of 381.43 g/mol, XLogP of 3.35, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methoxy-4-propoxybenzoyl)-2-methyl-1H-indole-3-carbohydrazide is sourced from PubChem (CID 26784395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).