N'-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanoyl]-3-methylbenzo[g][1]benzofuran-2-carbohydrazide

C23H27N3O4 — CID 9089506

IUPACN'-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanoyl]-3-methylbenzo[g][1]benzofuran-2-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)CCN2C[C@@H](C)O[C@@H](C)C2)oc2c1ccc1ccccc12
InChIInChI=1S/C23H27N3O4/c1-14-12-26(13-15(2)29-14)11-10-20(27)24-25-23(28)21-16(3)18-9-8-17-6-4-5-7-19(17)22(18)30-21/h4-9,14-15H,10-13H2,1-3H3,(H,24,27)(H,25,28)/t14-,15+
InChIKeyROJPWUDLTASCGQ-GASCZTMLSA-N
MW409.49 g/mol
LogP3.15
Rot. Bonds4

About N'-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanoyl]-3-methylbenzo[g][1]benzofuran-2-carbohydrazide

N'-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanoyl]-3-methylbenzo[g][1]benzofuran-2-carbohydrazide (PubChem CID 9089506) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is N'-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanoyl]-3-methylbenzo[g][1]benzofuran-2-carbohydrazide.

Molecular Properties

Compound NameN'-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanoyl]-3-methylbenzo[g][1]benzofuran-2-carbohydrazide
PubChem CID9089506
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC NameN'-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanoyl]-3-methylbenzo[g][1]benzofuran-2-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)CCN2C[C@@H](C)O[C@@H](C)C2)oc2c1ccc1ccccc12
InChIInChI=1S/C23H27N3O4/c1-14-12-26(13-15(2)29-14)11-10-20(27)24-25-23(28)21-16(3)18-9-8-17-6-4-5-7-19(17)22(18)30-21/h4-9,14-15H,10-13H2,1-3H3,(H,24,27)(H,25,28)/t14-,15+
InChIKeyROJPWUDLTASCGQ-GASCZTMLSA-N
XLogP3.15
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanoyl]-4-phenoxybenzohydrazide
CID 9410359
3-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]benzo[g][1]benzofuran-2-carboxamide
CID 112797995
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
6-[(3-methylbenzo[g][1]benzofuran-2-carbonyl)amino]hexanoic acid
CID 119352194
3-methyl-N-[4-(2H-tetrazol-5-yl)phenyl]benzo[g][1]benzofuran-2-carboxamide
CID 166195270
1-(3-chloro-2-methylphenyl)-3-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanoylamino]thiourea
CID 8785597
3-methyl-2-[(3-methylbenzo[g][1]benzofuran-2-carbonyl)amino]butanoic acid
CID 119348344
3-methyl-N-[3-(methylamino)propyl]benzo[g][1]benzofuran-2-carboxamide;hydrochloride
CID 119430724
N-[3-[(2-methoxyacetyl)amino]phenyl]-3-methylbenzo[g][1]benzofuran-2-carboxamide
CID 30831158
N'-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetyl]benzohydrazide
CID 8898901
N-(furan-2-ylmethyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide
CID 7732316

Frequently Asked Questions

What is the IUPAC name of N'-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanoyl]-3-methylbenzo[g][1]benzofuran-2-carbohydrazide?
The IUPAC name of N'-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanoyl]-3-methylbenzo[g][1]benzofuran-2-carbohydrazide (CID 9089506) is N'-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanoyl]-3-methylbenzo[g][1]benzofuran-2-carbohydrazide.
What is the SMILES notation for N'-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanoyl]-3-methylbenzo[g][1]benzofuran-2-carbohydrazide?
The canonical SMILES for N'-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanoyl]-3-methylbenzo[g][1]benzofuran-2-carbohydrazide is Cc1c(C(=O)NNC(=O)CCN2C[C@@H](C)O[C@@H](C)C2)oc2c1ccc1ccccc12.
What is the InChIKey of N'-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanoyl]-3-methylbenzo[g][1]benzofuran-2-carbohydrazide?
The InChIKey is ROJPWUDLTASCGQ-GASCZTMLSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-14-12-26(13-15(2)29-14)11-10-20(27)24-25-23(28)21-16(3)18-9-8-17-6-4-5-7-19(17)22(18)30-21/h4-9,14-15H,10-13H2,1-3H3,(H,24,27)(H,25,28)/t14-,15+.
What are the key properties of N'-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanoyl]-3-methylbenzo[g][1]benzofuran-2-carbohydrazide?
N'-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanoyl]-3-methylbenzo[g][1]benzofuran-2-carbohydrazide has a molecular weight of 409.49 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanoyl]-3-methylbenzo[g][1]benzofuran-2-carbohydrazide is sourced from PubChem (CID 9089506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).