2-(4-methoxyanilino)-N'-[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]acetohydrazide

C21H27N3O4 — CID 55351010

IUPAC2-(4-methoxyanilino)-N'-[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]acetohydrazide
SMILESCOc1ccc(NCC(=O)NNC(=O)COc2cc(C(C)C)ccc2C)cc1
InChIInChI=1S/C21H27N3O4/c1-14(2)16-6-5-15(3)19(11-16)28-13-21(26)24-23-20(25)12-22-17-7-9-18(27-4)10-8-17/h5-11,14,22H,12-13H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyNEPFBNWCJOQWRO-UHFFFAOYSA-N
MW385.46 g/mol
LogP2.77
Rot. Bonds8

About 2-(4-methoxyanilino)-N'-[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]acetohydrazide

2-(4-methoxyanilino)-N'-[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]acetohydrazide (PubChem CID 55351010) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is 2-(4-methoxyanilino)-N'-[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]acetohydrazide.

Molecular Properties

Compound Name2-(4-methoxyanilino)-N'-[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]acetohydrazide
PubChem CID55351010
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC Name2-(4-methoxyanilino)-N'-[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]acetohydrazide
SMILESCOc1ccc(NCC(=O)NNC(=O)COc2cc(C(C)C)ccc2C)cc1
InChIInChI=1S/C21H27N3O4/c1-14(2)16-6-5-15(3)19(11-16)28-13-21(26)24-23-20(25)12-22-17-7-9-18(27-4)10-8-17/h5-11,14,22H,12-13H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyNEPFBNWCJOQWRO-UHFFFAOYSA-N
XLogP2.77
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2,5-dimethoxyphenyl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 7962700
1-[[2-(4-methoxyanilino)acetyl]amino]-3-(4-propan-2-ylphenyl)thiourea
CID 8617463
2-(2-methyl-5-propan-2-ylphenoxy)-N-propan-2-ylacetamide
CID 78906214
N'-[2-(2,5-dichlorophenoxy)acetyl]-2-(4-methoxyanilino)acetohydrazide
CID 18206228
N-[(4-acetamidophenyl)methyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 24685838
2,5-dimethoxy-N'-[2-(4-methoxyanilino)acetyl]benzohydrazide
CID 55361417
3,3-dimethyl-1-(2-methyl-5-propan-2-ylphenoxy)butan-2-one
CID 60623601
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(3-propan-2-ylphenoxy)acetohydrazide
CID 55638715
N-[2-[5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 3649470
(2S)-N'-(2-anilinoacetyl)-2-(6-methoxynaphthalen-2-yl)propanehydrazide
CID 47066845
ethyl 4-[[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 7128264
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 42966353

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyanilino)-N'-[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]acetohydrazide?
The IUPAC name of 2-(4-methoxyanilino)-N'-[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]acetohydrazide (CID 55351010) is 2-(4-methoxyanilino)-N'-[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]acetohydrazide.
What is the SMILES notation for 2-(4-methoxyanilino)-N'-[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]acetohydrazide?
The canonical SMILES for 2-(4-methoxyanilino)-N'-[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]acetohydrazide is COc1ccc(NCC(=O)NNC(=O)COc2cc(C(C)C)ccc2C)cc1.
What is the InChIKey of 2-(4-methoxyanilino)-N'-[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]acetohydrazide?
The InChIKey is NEPFBNWCJOQWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-14(2)16-6-5-15(3)19(11-16)28-13-21(26)24-23-20(25)12-22-17-7-9-18(27-4)10-8-17/h5-11,14,22H,12-13H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of 2-(4-methoxyanilino)-N'-[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]acetohydrazide?
2-(4-methoxyanilino)-N'-[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]acetohydrazide has a molecular weight of 385.46 g/mol, XLogP of 2.77, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyanilino)-N'-[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]acetohydrazide is sourced from PubChem (CID 55351010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).