N'-[2-(2,5-dimethylphenoxy)acetyl]-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbohydrazide

C24H27N3O4 — CID 55386829

IUPACN'-[2-(2,5-dimethylphenoxy)acetyl]-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbohydrazide
SMILESCOc1ccc(-n2c(C)cc(C(=O)NNC(=O)COc3cc(C)ccc3C)c2C)cc1
InChIInChI=1S/C24H27N3O4/c1-15-6-7-16(2)22(12-15)31-14-23(28)25-26-24(29)21-13-17(3)27(18(21)4)19-8-10-20(30-5)11-9-19/h6-13H,14H2,1-5H3,(H,25,28)(H,26,29)
InChIKeyFMXVNEINCPTZST-UHFFFAOYSA-N
MW421.50 g/mol
LogP3.56
Rot. Bonds6

About N'-[2-(2,5-dimethylphenoxy)acetyl]-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbohydrazide

N'-[2-(2,5-dimethylphenoxy)acetyl]-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbohydrazide (PubChem CID 55386829) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is N'-[2-(2,5-dimethylphenoxy)acetyl]-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2,5-dimethylphenoxy)acetyl]-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbohydrazide
PubChem CID55386829
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC NameN'-[2-(2,5-dimethylphenoxy)acetyl]-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbohydrazide
SMILESCOc1ccc(-n2c(C)cc(C(=O)NNC(=O)COc3cc(C)ccc3C)c2C)cc1
InChIInChI=1S/C24H27N3O4/c1-15-6-7-16(2)22(12-15)31-14-23(28)25-26-24(29)21-13-17(3)27(18(21)4)19-8-10-20(30-5)11-9-19/h6-13H,14H2,1-5H3,(H,25,28)(H,26,29)
InChIKeyFMXVNEINCPTZST-UHFFFAOYSA-N
XLogP3.56
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methoxynaphthalene-2-carbohydrazide
CID 9393736
1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-(4-methoxyphenoxy)ethanone
CID 110656356
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-methoxyacetohydrazide
CID 47102429
2-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]acetic acid
CID 119171465
1-(4-methoxyphenyl)-2,5-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]pyrrole-3-carboxamide
CID 35353199
N'-[2-(2,5-dimethylphenoxy)acetyl]-4-ethoxybenzohydrazide
CID 26845933
N'-(2-chloroacetyl)-2-(2,5-dimethylphenoxy)acetohydrazide
CID 166414788
N'-[2-(2,5-dimethylphenoxy)acetyl]-2,3,4,5-tetrafluorobenzohydrazide
CID 3442692
N-(3-methoxyphenyl)-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 34319459
5-chloro-N'-[2-(2,5-dimethylphenoxy)acetyl]-2-hydroxybenzohydrazide
CID 55376169
N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(4-methoxyphenoxy)acetohydrazide
CID 4634264
N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methylbenzohydrazide
CID 965967

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,5-dimethylphenoxy)acetyl]-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbohydrazide?
The IUPAC name of N'-[2-(2,5-dimethylphenoxy)acetyl]-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbohydrazide (CID 55386829) is N'-[2-(2,5-dimethylphenoxy)acetyl]-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbohydrazide.
What is the SMILES notation for N'-[2-(2,5-dimethylphenoxy)acetyl]-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbohydrazide?
The canonical SMILES for N'-[2-(2,5-dimethylphenoxy)acetyl]-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbohydrazide is COc1ccc(-n2c(C)cc(C(=O)NNC(=O)COc3cc(C)ccc3C)c2C)cc1.
What is the InChIKey of N'-[2-(2,5-dimethylphenoxy)acetyl]-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbohydrazide?
The InChIKey is FMXVNEINCPTZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-15-6-7-16(2)22(12-15)31-14-23(28)25-26-24(29)21-13-17(3)27(18(21)4)19-8-10-20(30-5)11-9-19/h6-13H,14H2,1-5H3,(H,25,28)(H,26,29).
What are the key properties of N'-[2-(2,5-dimethylphenoxy)acetyl]-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbohydrazide?
N'-[2-(2,5-dimethylphenoxy)acetyl]-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbohydrazide has a molecular weight of 421.50 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,5-dimethylphenoxy)acetyl]-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbohydrazide is sourced from PubChem (CID 55386829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).