dimethyl-[3-[2-(3-methylbenzo[g][1]benzofuran-2-carbonyl)hydrazinyl]-3-oxopropyl]azanium

C19H22N3O3+ — CID 9091198

IUPACdimethyl-[3-[2-(3-methylbenzo[g][1]benzofuran-2-carbonyl)hydrazinyl]-3-oxopropyl]azanium
SMILESCc1c(C(=O)NNC(=O)CC[NH+](C)C)oc2c1ccc1ccccc12
InChIInChI=1S/C19H21N3O3/c1-12-14-9-8-13-6-4-5-7-15(13)18(14)25-17(12)19(24)21-20-16(23)10-11-22(2)3/h4-9H,10-11H2,1-3H3,(H,20,23)(H,21,24)/p+1
InChIKeyRSRJVITUSVSJAV-UHFFFAOYSA-O
MW340.40 g/mol
LogP1.19
Rot. Bonds4

About dimethyl-[3-[2-(3-methylbenzo[g][1]benzofuran-2-carbonyl)hydrazinyl]-3-oxopropyl]azanium

dimethyl-[3-[2-(3-methylbenzo[g][1]benzofuran-2-carbonyl)hydrazinyl]-3-oxopropyl]azanium (PubChem CID 9091198) has the molecular formula C19H22N3O3+ and a molecular weight of 340.40 g/mol. Its IUPAC name is dimethyl-[3-[2-(3-methylbenzo[g][1]benzofuran-2-carbonyl)hydrazinyl]-3-oxopropyl]azanium.

Molecular Properties

Compound Namedimethyl-[3-[2-(3-methylbenzo[g][1]benzofuran-2-carbonyl)hydrazinyl]-3-oxopropyl]azanium
PubChem CID9091198
Molecular FormulaC19H22N3O3+
Molecular Weight340.40 g/mol
Exact Mass340.17
IUPAC Namedimethyl-[3-[2-(3-methylbenzo[g][1]benzofuran-2-carbonyl)hydrazinyl]-3-oxopropyl]azanium
SMILESCc1c(C(=O)NNC(=O)CC[NH+](C)C)oc2c1ccc1ccccc12
InChIInChI=1S/C19H21N3O3/c1-12-14-9-8-13-6-4-5-7-15(13)18(14)25-17(12)19(24)21-20-16(23)10-11-22(2)3/h4-9H,10-11H2,1-3H3,(H,20,23)(H,21,24)/p+1
InChIKeyRSRJVITUSVSJAV-UHFFFAOYSA-O
XLogP1.19
TPSA75.78 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze dimethyl-[3-[2-(3-methylbenzo[g][1]benzofuran-2-carbonyl)hydrazinyl]-3-oxopropyl]azanium 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

N'-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanoyl]-3-methylbenzo[g][1]benzofuran-2-carbohydrazide
CID 9089506
1-[(4-fluorophenyl)methyl]-3-[(3-methylbenzo[g][1]benzofuran-2-carbonyl)amino]thiourea
CID 8942283
N-(2,3-dimethylphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide
CID 7946958
3-methyl-N-[(1R)-1-phenylethyl]benzo[g][1]benzofuran-2-carboxamide
CID 7945436
3-methyl-N-[3-(methylamino)propyl]benzo[g][1]benzofuran-2-carboxamide
CID 119430725
3-methyl-N-(3-methylbutyl)benzo[g][1]benzofuran-2-carboxamide
CID 7926460
N-(4-fluorophenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide
CID 7733139
6-[(3-methylbenzo[g][1]benzofuran-2-carbonyl)amino]hexanoic acid
CID 119352194
3-methyl-N-(1,3,4-thiadiazol-2-yl)benzo[g][1]benzofuran-2-carboxamide
CID 30550761
dimethyl-[3-[2-(naphthalene-2-carbonyl)hydrazinyl]-3-oxopropyl]azanium
CID 9417627
3-methyl-N-[3-(methylamino)propyl]benzo[g][1]benzofuran-2-carboxamide;hydrochloride
CID 119430724
3-methyl-2-[(3-methylbenzo[g][1]benzofuran-2-carbonyl)amino]butanoic acid
CID 119348344

Frequently Asked Questions

What is the IUPAC name of dimethyl-[3-[2-(3-methylbenzo[g][1]benzofuran-2-carbonyl)hydrazinyl]-3-oxopropyl]azanium?
The IUPAC name of dimethyl-[3-[2-(3-methylbenzo[g][1]benzofuran-2-carbonyl)hydrazinyl]-3-oxopropyl]azanium (CID 9091198) is dimethyl-[3-[2-(3-methylbenzo[g][1]benzofuran-2-carbonyl)hydrazinyl]-3-oxopropyl]azanium.
What is the SMILES notation for dimethyl-[3-[2-(3-methylbenzo[g][1]benzofuran-2-carbonyl)hydrazinyl]-3-oxopropyl]azanium?
The canonical SMILES for dimethyl-[3-[2-(3-methylbenzo[g][1]benzofuran-2-carbonyl)hydrazinyl]-3-oxopropyl]azanium is Cc1c(C(=O)NNC(=O)CC[NH+](C)C)oc2c1ccc1ccccc12.
What is the InChIKey of dimethyl-[3-[2-(3-methylbenzo[g][1]benzofuran-2-carbonyl)hydrazinyl]-3-oxopropyl]azanium?
The InChIKey is RSRJVITUSVSJAV-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H21N3O3/c1-12-14-9-8-13-6-4-5-7-15(13)18(14)25-17(12)19(24)21-20-16(23)10-11-22(2)3/h4-9H,10-11H2,1-3H3,(H,20,23)(H,21,24)/p+1.
What are the key properties of dimethyl-[3-[2-(3-methylbenzo[g][1]benzofuran-2-carbonyl)hydrazinyl]-3-oxopropyl]azanium?
dimethyl-[3-[2-(3-methylbenzo[g][1]benzofuran-2-carbonyl)hydrazinyl]-3-oxopropyl]azanium has a molecular weight of 340.40 g/mol, XLogP of 1.19, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[3-[2-(3-methylbenzo[g][1]benzofuran-2-carbonyl)hydrazinyl]-3-oxopropyl]azanium is sourced from PubChem (CID 9091198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).