3-methoxy-N'-[2-(4-methylanilino)acetyl]-4-propan-2-yloxybenzohydrazide

C20H25N3O4 — CID 55348617

IUPAC3-methoxy-N'-[2-(4-methylanilino)acetyl]-4-propan-2-yloxybenzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)CNc2ccc(C)cc2)ccc1OC(C)C
InChIInChI=1S/C20H25N3O4/c1-13(2)27-17-10-7-15(11-18(17)26-4)20(25)23-22-19(24)12-21-16-8-5-14(3)6-9-16/h5-11,13,21H,12H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyNEWXPRGGAQHXIJ-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.66
Rot. Bonds7

About 3-methoxy-N'-[2-(4-methylanilino)acetyl]-4-propan-2-yloxybenzohydrazide

3-methoxy-N'-[2-(4-methylanilino)acetyl]-4-propan-2-yloxybenzohydrazide (PubChem CID 55348617) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is 3-methoxy-N'-[2-(4-methylanilino)acetyl]-4-propan-2-yloxybenzohydrazide.

Molecular Properties

Compound Name3-methoxy-N'-[2-(4-methylanilino)acetyl]-4-propan-2-yloxybenzohydrazide
PubChem CID55348617
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name3-methoxy-N'-[2-(4-methylanilino)acetyl]-4-propan-2-yloxybenzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)CNc2ccc(C)cc2)ccc1OC(C)C
InChIInChI=1S/C20H25N3O4/c1-13(2)27-17-10-7-15(11-18(17)26-4)20(25)23-22-19(24)12-21-16-8-5-14(3)6-9-16/h5-11,13,21H,12H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyNEWXPRGGAQHXIJ-UHFFFAOYSA-N
XLogP2.66
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.66
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

3-methoxy-N-(4-methylphenyl)-4-propan-2-yloxybenzamide
CID 6457881
N-[2-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-2-oxoethyl]-2-methylbutanamide
CID 55930339
1-[2-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-2-oxoethyl]-3-phenylurea
CID 18292224
3-methoxy-N'-(3-methylbenzoyl)-4-propan-2-yloxybenzohydrazide
CID 26655769
N'-acetyl-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 46656614
3-methoxy-N'-[2-(2-methylphenyl)acetyl]-4-propan-2-yloxybenzohydrazide
CID 8621917
3-methoxy-N'-[2-(2-methoxyphenyl)acetyl]-4-propan-2-yloxybenzohydrazide
CID 4798027
3-methoxy-N'-[2-(6-methyl-1-benzofuran-3-yl)acetyl]-4-propan-2-yloxybenzohydrazide
CID 18270509
N-(4-methoxyphenyl)-2-[2-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-2-oxoethyl]sulfanylacetamide
CID 46521462
3-methoxy-N'-(3-phenylpropanoyl)-4-propan-2-yloxybenzohydrazide
CID 7972010
N'-[2-(4-bromophenoxy)acetyl]-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 26655569
4-(difluoromethoxy)-3-methoxy-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide
CID 7970230

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N'-[2-(4-methylanilino)acetyl]-4-propan-2-yloxybenzohydrazide?
The IUPAC name of 3-methoxy-N'-[2-(4-methylanilino)acetyl]-4-propan-2-yloxybenzohydrazide (CID 55348617) is 3-methoxy-N'-[2-(4-methylanilino)acetyl]-4-propan-2-yloxybenzohydrazide.
What is the SMILES notation for 3-methoxy-N'-[2-(4-methylanilino)acetyl]-4-propan-2-yloxybenzohydrazide?
The canonical SMILES for 3-methoxy-N'-[2-(4-methylanilino)acetyl]-4-propan-2-yloxybenzohydrazide is COc1cc(C(=O)NNC(=O)CNc2ccc(C)cc2)ccc1OC(C)C.
What is the InChIKey of 3-methoxy-N'-[2-(4-methylanilino)acetyl]-4-propan-2-yloxybenzohydrazide?
The InChIKey is NEWXPRGGAQHXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-13(2)27-17-10-7-15(11-18(17)26-4)20(25)23-22-19(24)12-21-16-8-5-14(3)6-9-16/h5-11,13,21H,12H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of 3-methoxy-N'-[2-(4-methylanilino)acetyl]-4-propan-2-yloxybenzohydrazide?
3-methoxy-N'-[2-(4-methylanilino)acetyl]-4-propan-2-yloxybenzohydrazide has a molecular weight of 371.44 g/mol, XLogP of 2.66, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N'-[2-(4-methylanilino)acetyl]-4-propan-2-yloxybenzohydrazide is sourced from PubChem (CID 55348617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).