3,5-dimethoxy-N-[3-methyl-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzamide

C22H27N3O5 — CID 4318162

IUPAC3,5-dimethoxy-N-[3-methyl-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NC(C(=O)NNC(=O)c2ccc(C)cc2)C(C)C)c1
InChIInChI=1S/C22H27N3O5/c1-13(2)19(22(28)25-24-21(27)15-8-6-14(3)7-9-15)23-20(26)16-10-17(29-4)12-18(11-16)30-5/h6-13,19H,1-5H3,(H,23,26)(H,24,27)(H,25,28)
InChIKeySLGLNLXCYOAYNI-UHFFFAOYSA-N
MW413.47 g/mol
LogP2.23
Rot. Bonds7

About 3,5-dimethoxy-N-[3-methyl-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzamide

3,5-dimethoxy-N-[3-methyl-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzamide (PubChem CID 4318162) has the molecular formula C22H27N3O5 and a molecular weight of 413.47 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[3-methyl-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[3-methyl-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzamide
PubChem CID4318162
Molecular FormulaC22H27N3O5
Molecular Weight413.47 g/mol
Exact Mass413.20
IUPAC Name3,5-dimethoxy-N-[3-methyl-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NC(C(=O)NNC(=O)c2ccc(C)cc2)C(C)C)c1
InChIInChI=1S/C22H27N3O5/c1-13(2)19(22(28)25-24-21(27)15-8-6-14(3)7-9-15)23-20(26)16-10-17(29-4)12-18(11-16)30-5/h6-13,19H,1-5H3,(H,23,26)(H,24,27)(H,25,28)
InChIKeySLGLNLXCYOAYNI-UHFFFAOYSA-N
XLogP2.23
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 52.23
H-Bond Donors ≤ 53
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-(1-benzylpiperidin-4-yl)-3,5-dimethoxybenzamide
CID 14514271
3,5-dimethoxy-N-(4-phenylbutan-2-yl)benzamide
CID 2915995
N'-(3,5-Dimethoxybenzoyl)-3-phenylpropanehydrazide
CID 846324
N-benzhydryl-3,5-dimethoxybenzamide
CID 873122
N-[(4-methoxyphenyl)carbonylamino]-N'-benzylethane-1,2-diamide
CID 2302679
4-bromo-N-[3-[2-(3,5-dimethoxybenzoyl)hydrazinyl]-3-oxopropyl]benzamide
CID 4789098
4-(3,5-Dimethoxy-4-methylbenzoyl)piperazin-2-one
CID 4790851
N-benzhydryl-3,5-dimethoxy-4-methylbenzamide
CID 4852309
[2-Oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 5214804
3,5-dimethoxy-N-[(2S)-3-methyl-1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butan-2-yl]benzamide
CID 16245781
2-[2-(3,4-dimethoxybenzoyl)hydrazino]-2-oxo-N-(1-phenylethyl)acetamide
CID 3422545
N-[3-(4-{3-[(3,5-dimethoxybenzoyl)amino]propyl}-1-piperazinyl)propyl]-3,5-dimethoxybenzamide
CID 4077212

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[3-methyl-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[3-methyl-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzamide (CID 4318162) is 3,5-dimethoxy-N-[3-methyl-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[3-methyl-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[3-methyl-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzamide is COc1cc(OC)cc(C(=O)NC(C(=O)NNC(=O)c2ccc(C)cc2)C(C)C)c1.
What is the InChIKey of 3,5-dimethoxy-N-[3-methyl-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzamide?
The InChIKey is SLGLNLXCYOAYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O5/c1-13(2)19(22(28)25-24-21(27)15-8-6-14(3)7-9-15)23-20(26)16-10-17(29-4)12-18(11-16)30-5/h6-13,19H,1-5H3,(H,23,26)(H,24,27)(H,25,28).
What are the key properties of 3,5-dimethoxy-N-[3-methyl-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzamide?
3,5-dimethoxy-N-[3-methyl-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzamide has a molecular weight of 413.47 g/mol, XLogP of 2.23, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[3-methyl-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 4318162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).