3-(3,5-dimethoxyphenyl)-N'-[2-(4-methylanilino)acetyl]propanehydrazide

C20H25N3O4 — CID 22829646

IUPAC3-(3,5-dimethoxyphenyl)-N'-[2-(4-methylanilino)acetyl]propanehydrazide
SMILESCOc1cc(CCC(=O)NNC(=O)CNc2ccc(C)cc2)cc(OC)c1
InChIInChI=1S/C20H25N3O4/c1-14-4-7-16(8-5-14)21-13-20(25)23-22-19(24)9-6-15-10-17(26-2)12-18(11-15)27-3/h4-5,7-8,10-12,21H,6,9,13H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyKLDATRFAIHKQEN-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.20
Rot. Bonds8

About 3-(3,5-dimethoxyphenyl)-N'-[2-(4-methylanilino)acetyl]propanehydrazide

3-(3,5-dimethoxyphenyl)-N'-[2-(4-methylanilino)acetyl]propanehydrazide (PubChem CID 22829646) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is 3-(3,5-dimethoxyphenyl)-N'-[2-(4-methylanilino)acetyl]propanehydrazide.

Molecular Properties

Compound Name3-(3,5-dimethoxyphenyl)-N'-[2-(4-methylanilino)acetyl]propanehydrazide
PubChem CID22829646
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name3-(3,5-dimethoxyphenyl)-N'-[2-(4-methylanilino)acetyl]propanehydrazide
SMILESCOc1cc(CCC(=O)NNC(=O)CNc2ccc(C)cc2)cc(OC)c1
InChIInChI=1S/C20H25N3O4/c1-14-4-7-16(8-5-14)21-13-20(25)23-22-19(24)9-6-15-10-17(26-2)12-18(11-15)27-3/h4-5,7-8,10-12,21H,6,9,13H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyKLDATRFAIHKQEN-UHFFFAOYSA-N
XLogP2.20
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.20
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-(3,5-dimethoxyphenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide
CID 9087810
N-(4-chlorophenyl)-3-(3,5-dimethoxyphenyl)propanamide
CID 26688109
N'-[2-(4-methoxyanilino)acetyl]-5-methyl-1-benzofuran-2-carbohydrazide
CID 55939760
2-[2-[3-(3,5-dimethoxyphenyl)propanoyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide
CID 8532198
N'-[3-(4-methoxyphenyl)propanoyl]-4-methylbenzohydrazide
CID 2672366
4-(4-methoxyphenyl)-5-methyl-N'-[2-(4-methylanilino)acetyl]thiophene-2-carbohydrazide
CID 78835011
N-cyclopropyl-4-[3-[2-[2-(4-methylanilino)acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide
CID 56504390
2-anilino-N-(3,5-dimethoxyphenyl)acetamide
CID 51178238
2,5-dimethoxy-N'-[2-(4-methoxyanilino)acetyl]benzohydrazide
CID 55361417
2-(3,4-dimethoxyphenyl)-N'-[2-(4-methoxyanilino)acetyl]acetohydrazide
CID 55350938
N-[3-[[2-(4-methylanilino)acetyl]amino]phenyl]-3-phenylpropanamide
CID 54814254
1-[[2-(4-methoxyanilino)acetyl]amino]-3-(3-methylphenyl)thiourea
CID 8617470

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethoxyphenyl)-N'-[2-(4-methylanilino)acetyl]propanehydrazide?
The IUPAC name of 3-(3,5-dimethoxyphenyl)-N'-[2-(4-methylanilino)acetyl]propanehydrazide (CID 22829646) is 3-(3,5-dimethoxyphenyl)-N'-[2-(4-methylanilino)acetyl]propanehydrazide.
What is the SMILES notation for 3-(3,5-dimethoxyphenyl)-N'-[2-(4-methylanilino)acetyl]propanehydrazide?
The canonical SMILES for 3-(3,5-dimethoxyphenyl)-N'-[2-(4-methylanilino)acetyl]propanehydrazide is COc1cc(CCC(=O)NNC(=O)CNc2ccc(C)cc2)cc(OC)c1.
What is the InChIKey of 3-(3,5-dimethoxyphenyl)-N'-[2-(4-methylanilino)acetyl]propanehydrazide?
The InChIKey is KLDATRFAIHKQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-14-4-7-16(8-5-14)21-13-20(25)23-22-19(24)9-6-15-10-17(26-2)12-18(11-15)27-3/h4-5,7-8,10-12,21H,6,9,13H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 3-(3,5-dimethoxyphenyl)-N'-[2-(4-methylanilino)acetyl]propanehydrazide?
3-(3,5-dimethoxyphenyl)-N'-[2-(4-methylanilino)acetyl]propanehydrazide has a molecular weight of 371.44 g/mol, XLogP of 2.20, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethoxyphenyl)-N'-[2-(4-methylanilino)acetyl]propanehydrazide is sourced from PubChem (CID 22829646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).