butyl 4-[[2-[3-(3,4-dimethoxyphenyl)propanoyloxy]acetyl]amino]benzoate

C24H29NO7 — CID 29199685

IUPACbutyl 4-[[2-[3-(3,4-dimethoxyphenyl)propanoyloxy]acetyl]amino]benzoate
SMILESCCCCOC(=O)c1ccc(NC(=O)COC(=O)CCc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C24H29NO7/c1-4-5-14-31-24(28)18-8-10-19(11-9-18)25-22(26)16-32-23(27)13-7-17-6-12-20(29-2)21(15-17)30-3/h6,8-12,15H,4-5,7,13-14,16H2,1-3H3,(H,25,26)
InChIKeyFQIFNCBTXMAIRC-UHFFFAOYSA-N
MW443.50 g/mol
LogP3.78
Rot. Bonds12

About butyl 4-[[2-[3-(3,4-dimethoxyphenyl)propanoyloxy]acetyl]amino]benzoate

butyl 4-[[2-[3-(3,4-dimethoxyphenyl)propanoyloxy]acetyl]amino]benzoate (PubChem CID 29199685) has the molecular formula C24H29NO7 and a molecular weight of 443.50 g/mol. Its IUPAC name is butyl 4-[[2-[3-(3,4-dimethoxyphenyl)propanoyloxy]acetyl]amino]benzoate.

Molecular Properties

Compound Namebutyl 4-[[2-[3-(3,4-dimethoxyphenyl)propanoyloxy]acetyl]amino]benzoate
PubChem CID29199685
Molecular FormulaC24H29NO7
Molecular Weight443.50 g/mol
Exact Mass443.19
IUPAC Namebutyl 4-[[2-[3-(3,4-dimethoxyphenyl)propanoyloxy]acetyl]amino]benzoate
SMILESCCCCOC(=O)c1ccc(NC(=O)COC(=O)CCc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C24H29NO7/c1-4-5-14-31-24(28)18-8-10-19(11-9-18)25-22(26)16-32-23(27)13-7-17-6-12-20(29-2)21(15-17)30-3/h6,8-12,15H,4-5,7,13-14,16H2,1-3H3,(H,25,26)
InChIKeyFQIFNCBTXMAIRC-UHFFFAOYSA-N
XLogP3.78
TPSA100.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze butyl 4-[[2-[3-(3,4-dimethoxyphenyl)propanoyloxy]acetyl]amino]benzoate with MolForge

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Related Compounds

[2-(4-tert-butylanilino)-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate
CID 40628747
butyl 3-[3-(3,4-dimethoxyphenyl)propanoylamino]benzoate
CID 19220656
butyl 4-[2-(3,4-dimethoxyanilino)-2-oxoethoxy]benzoate
CID 7984511
[2-(4-butoxycarbonylanilino)-2-oxoethyl] 3-methoxy-4-propan-2-yloxybenzoate
CID 16501147
N-(4-butoxyphenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 19220649
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 4-ethylbenzoate
CID 2607173
butyl 4-[(2-methoxyacetyl)amino]benzoate
CID 19178350
butyl 4-[[2-(4-formyl-2-methoxyphenoxy)acetyl]amino]benzoate
CID 7894174
butyl 4-[[2-[2-(3-methoxyphenyl)acetyl]oxyacetyl]amino]benzoate
CID 8792619
[2-(4-carbamoylanilino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 7766635
butyl 4-[3-(2,6-dimethoxyphenyl)propanoylamino]benzoate
CID 100789605
[2-(4-butylanilino)-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 8702354

Frequently Asked Questions

What is the IUPAC name of butyl 4-[[2-[3-(3,4-dimethoxyphenyl)propanoyloxy]acetyl]amino]benzoate?
The IUPAC name of butyl 4-[[2-[3-(3,4-dimethoxyphenyl)propanoyloxy]acetyl]amino]benzoate (CID 29199685) is butyl 4-[[2-[3-(3,4-dimethoxyphenyl)propanoyloxy]acetyl]amino]benzoate.
What is the SMILES notation for butyl 4-[[2-[3-(3,4-dimethoxyphenyl)propanoyloxy]acetyl]amino]benzoate?
The canonical SMILES for butyl 4-[[2-[3-(3,4-dimethoxyphenyl)propanoyloxy]acetyl]amino]benzoate is CCCCOC(=O)c1ccc(NC(=O)COC(=O)CCc2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of butyl 4-[[2-[3-(3,4-dimethoxyphenyl)propanoyloxy]acetyl]amino]benzoate?
The InChIKey is FQIFNCBTXMAIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO7/c1-4-5-14-31-24(28)18-8-10-19(11-9-18)25-22(26)16-32-23(27)13-7-17-6-12-20(29-2)21(15-17)30-3/h6,8-12,15H,4-5,7,13-14,16H2,1-3H3,(H,25,26).
What are the key properties of butyl 4-[[2-[3-(3,4-dimethoxyphenyl)propanoyloxy]acetyl]amino]benzoate?
butyl 4-[[2-[3-(3,4-dimethoxyphenyl)propanoyloxy]acetyl]amino]benzoate has a molecular weight of 443.50 g/mol, XLogP of 3.78, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-[[2-[3-(3,4-dimethoxyphenyl)propanoyloxy]acetyl]amino]benzoate is sourced from PubChem (CID 29199685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).