2-[2-[3-(3,5-dimethoxyphenyl)propanoyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide

C16H23N3O5 — CID 8532198

IUPAC2-[2-[3-(3,5-dimethoxyphenyl)propanoyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide
SMILESCOc1cc(CCC(=O)NNC(=O)C(=O)NC(C)C)cc(OC)c1
InChIInChI=1S/C16H23N3O5/c1-10(2)17-15(21)16(22)19-18-14(20)6-5-11-7-12(23-3)9-13(8-11)24-4/h7-10H,5-6H2,1-4H3,(H,17,21)(H,18,20)(H,19,22)
InChIKeyNOWOULGUXSPHMI-UHFFFAOYSA-N
MW337.38 g/mol
LogP0.31
Rot. Bonds6

About 2-[2-[3-(3,5-dimethoxyphenyl)propanoyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide

2-[2-[3-(3,5-dimethoxyphenyl)propanoyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide (PubChem CID 8532198) has the molecular formula C16H23N3O5 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-[2-[3-(3,5-dimethoxyphenyl)propanoyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-[3-(3,5-dimethoxyphenyl)propanoyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide
PubChem CID8532198
Molecular FormulaC16H23N3O5
Molecular Weight337.38 g/mol
Exact Mass337.16
IUPAC Name2-[2-[3-(3,5-dimethoxyphenyl)propanoyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide
SMILESCOc1cc(CCC(=O)NNC(=O)C(=O)NC(C)C)cc(OC)c1
InChIInChI=1S/C16H23N3O5/c1-10(2)17-15(21)16(22)19-18-14(20)6-5-11-7-12(23-3)9-13(8-11)24-4/h7-10H,5-6H2,1-4H3,(H,17,21)(H,18,20)(H,19,22)
InChIKeyNOWOULGUXSPHMI-UHFFFAOYSA-N
XLogP0.31
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-N'-[3-(3,5-dimethoxyphenyl)propanoyl]-2-(4-fluorophenoxy)propanehydrazide
CID 9091757
1-cyclopentyl-3-[3-(3,5-dimethoxyphenyl)propanoylamino]thiourea
CID 9090148
3-(3,5-dimethoxyphenyl)-N'-[2-(4-methylanilino)acetyl]propanehydrazide
CID 22829646
N'-[2-(1-adamantyl)acetyl]-3-(3,5-dimethoxyphenyl)propanehydrazide
CID 9086066
N-[4-(4-bromophenyl)butan-2-yl]-3-(3,5-dimethoxyphenyl)propanamide
CID 60566570
3-(3,5-dimethoxyphenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)propanamide
CID 46628604
3-[3-(3,5-dimethoxyphenyl)propanoylamino]-2-methyl-3-phenylpropanoic acid
CID 119218913
N'-[3-(3,5-dimethoxyphenyl)propanoyl]pyrazine-2-carbohydrazide
CID 42016381
2-[3-(3,5-dimethoxyphenyl)propanoylamino]-2-phenylacetic acid
CID 119113378
(2R)-2-[3-(3,5-dimethoxyphenyl)propanoylamino]-2-phenylacetic acid
CID 119367695
4-bromo-N'-[3-(3,5-dimethoxyphenyl)propanoyl]-1-methylpyrrole-2-carbohydrazide
CID 27037391
3-(3,5-dimethoxyphenyl)-N'-[2-(1,1-dioxothiolan-3-yl)acetyl]propanehydrazide
CID 46463274

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(3,5-dimethoxyphenyl)propanoyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-[3-(3,5-dimethoxyphenyl)propanoyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide (CID 8532198) is 2-[2-[3-(3,5-dimethoxyphenyl)propanoyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-[3-(3,5-dimethoxyphenyl)propanoyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-[3-(3,5-dimethoxyphenyl)propanoyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide is COc1cc(CCC(=O)NNC(=O)C(=O)NC(C)C)cc(OC)c1.
What is the InChIKey of 2-[2-[3-(3,5-dimethoxyphenyl)propanoyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide?
The InChIKey is NOWOULGUXSPHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O5/c1-10(2)17-15(21)16(22)19-18-14(20)6-5-11-7-12(23-3)9-13(8-11)24-4/h7-10H,5-6H2,1-4H3,(H,17,21)(H,18,20)(H,19,22).
What are the key properties of 2-[2-[3-(3,5-dimethoxyphenyl)propanoyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide?
2-[2-[3-(3,5-dimethoxyphenyl)propanoyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide has a molecular weight of 337.38 g/mol, XLogP of 0.31, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(3,5-dimethoxyphenyl)propanoyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide is sourced from PubChem (CID 8532198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).