N'-[2-(4-methoxyanilino)acetyl]-5-methyl-1-benzofuran-2-carbohydrazide

C19H19N3O4 — CID 55939760

IUPACN'-[2-(4-methoxyanilino)acetyl]-5-methyl-1-benzofuran-2-carbohydrazide
SMILESCOc1ccc(NCC(=O)NNC(=O)c2cc3cc(C)ccc3o2)cc1
InChIInChI=1S/C19H19N3O4/c1-12-3-8-16-13(9-12)10-17(26-16)19(24)22-21-18(23)11-20-14-4-6-15(25-2)7-5-14/h3-10,20H,11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyYWMKDQQWIKJLPF-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.62
Rot. Bonds5

About N'-[2-(4-methoxyanilino)acetyl]-5-methyl-1-benzofuran-2-carbohydrazide

N'-[2-(4-methoxyanilino)acetyl]-5-methyl-1-benzofuran-2-carbohydrazide (PubChem CID 55939760) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is N'-[2-(4-methoxyanilino)acetyl]-5-methyl-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-methoxyanilino)acetyl]-5-methyl-1-benzofuran-2-carbohydrazide
PubChem CID55939760
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC NameN'-[2-(4-methoxyanilino)acetyl]-5-methyl-1-benzofuran-2-carbohydrazide
SMILESCOc1ccc(NCC(=O)NNC(=O)c2cc3cc(C)ccc3o2)cc1
InChIInChI=1S/C19H19N3O4/c1-12-3-8-16-13(9-12)10-17(26-16)19(24)22-21-18(23)11-20-14-4-6-15(25-2)7-5-14/h3-10,20H,11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyYWMKDQQWIKJLPF-UHFFFAOYSA-N
XLogP2.62
TPSA92.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.62
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

2,5-dimethoxy-N'-[2-(4-methoxyanilino)acetyl]benzohydrazide
CID 55361417
5-methoxy-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 51432206
4-(4-methoxyphenyl)-5-methyl-N'-[2-(4-methylanilino)acetyl]thiophene-2-carbohydrazide
CID 78835011
3-(3,5-dimethoxyphenyl)-N'-[2-(4-methylanilino)acetyl]propanehydrazide
CID 22829646
1-[[2-(4-methoxyanilino)acetyl]amino]-3-(3-methylphenyl)thiourea
CID 8617470
N-[1-[2-[2-(4-methoxyanilino)acetyl]hydrazinyl]-1-oxopropan-2-yl]-3-methylbenzamide
CID 55350949
N-(1,3-dihydroxypropan-2-yl)-5-methyl-1-benzofuran-2-carboxamide
CID 65314853
(4-methoxy-2-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 105084721
N-(2-bromo-4-methylphenyl)-2-(4-methoxyanilino)acetamide
CID 109009113
2-(3,4-dimethoxyphenyl)-N'-[2-(4-methoxyanilino)acetyl]acetohydrazide
CID 55350938
5-bromo-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 2986420
5-methyl-N-(2-methylpropoxy)-1-benzofuran-2-carboxamide
CID 115409727

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-methoxyanilino)acetyl]-5-methyl-1-benzofuran-2-carbohydrazide?
The IUPAC name of N'-[2-(4-methoxyanilino)acetyl]-5-methyl-1-benzofuran-2-carbohydrazide (CID 55939760) is N'-[2-(4-methoxyanilino)acetyl]-5-methyl-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for N'-[2-(4-methoxyanilino)acetyl]-5-methyl-1-benzofuran-2-carbohydrazide?
The canonical SMILES for N'-[2-(4-methoxyanilino)acetyl]-5-methyl-1-benzofuran-2-carbohydrazide is COc1ccc(NCC(=O)NNC(=O)c2cc3cc(C)ccc3o2)cc1.
What is the InChIKey of N'-[2-(4-methoxyanilino)acetyl]-5-methyl-1-benzofuran-2-carbohydrazide?
The InChIKey is YWMKDQQWIKJLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-12-3-8-16-13(9-12)10-17(26-16)19(24)22-21-18(23)11-20-14-4-6-15(25-2)7-5-14/h3-10,20H,11H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N'-[2-(4-methoxyanilino)acetyl]-5-methyl-1-benzofuran-2-carbohydrazide?
N'-[2-(4-methoxyanilino)acetyl]-5-methyl-1-benzofuran-2-carbohydrazide has a molecular weight of 353.38 g/mol, XLogP of 2.62, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-methoxyanilino)acetyl]-5-methyl-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 55939760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).