2-[3-(3,4-diethoxyphenyl)propanoylamino]-N-(2-methoxyethyl)benzamide

C23H30N2O5 — CID 99958293

IUPAC2-[3-(3,4-diethoxyphenyl)propanoylamino]-N-(2-methoxyethyl)benzamide
SMILESCCOc1ccc(CCC(=O)Nc2ccccc2C(=O)NCCOC)cc1OCC
InChIInChI=1S/C23H30N2O5/c1-4-29-20-12-10-17(16-21(20)30-5-2)11-13-22(26)25-19-9-7-6-8-18(19)23(27)24-14-15-28-3/h6-10,12,16H,4-5,11,13-15H2,1-3H3,(H,24,27)(H,25,26)
InChIKeyBDMNZKRMNLGGBI-UHFFFAOYSA-N
MW414.50 g/mol
LogP3.43
Rot. Bonds12

About 2-[3-(3,4-diethoxyphenyl)propanoylamino]-N-(2-methoxyethyl)benzamide

2-[3-(3,4-diethoxyphenyl)propanoylamino]-N-(2-methoxyethyl)benzamide (PubChem CID 99958293) has the molecular formula C23H30N2O5 and a molecular weight of 414.50 g/mol. Its IUPAC name is 2-[3-(3,4-diethoxyphenyl)propanoylamino]-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name2-[3-(3,4-diethoxyphenyl)propanoylamino]-N-(2-methoxyethyl)benzamide
PubChem CID99958293
Molecular FormulaC23H30N2O5
Molecular Weight414.50 g/mol
Exact Mass414.22
IUPAC Name2-[3-(3,4-diethoxyphenyl)propanoylamino]-N-(2-methoxyethyl)benzamide
SMILESCCOc1ccc(CCC(=O)Nc2ccccc2C(=O)NCCOC)cc1OCC
InChIInChI=1S/C23H30N2O5/c1-4-29-20-12-10-17(16-21(20)30-5-2)11-13-22(26)25-19-9-7-6-8-18(19)23(27)24-14-15-28-3/h6-10,12,16H,4-5,11,13-15H2,1-3H3,(H,24,27)(H,25,26)
InChIKeyBDMNZKRMNLGGBI-UHFFFAOYSA-N
XLogP3.43
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(3,4-diethoxyphenyl)propanoylamino]benzamide
CID 30395458
N-(2-methoxyethyl)-2-(3-phenylpropanoylamino)benzamide
CID 2206654
2-[3-(3,4-difluorophenyl)propanoylamino]-N-(2-methoxyethyl)benzamide
CID 46686812
2-[3-(4-tert-butylphenyl)propanoylamino]-N-(2-methoxyethyl)benzamide
CID 41455603
N-[2-(3,4-diethoxyphenyl)ethyl]-2-(2,2-dimethylpropanoylamino)benzamide
CID 1312332
N-(2-aminoethyl)-2-[3-(4-ethoxyphenyl)propanoylamino]benzamide
CID 120603849
N-[(2S)-butan-2-yl]-2-[3-(3,4-dimethoxyphenyl)propanoylamino]benzamide
CID 28579202
2-amino-N-[2-(3,4-diethoxyphenyl)ethyl]benzamide
CID 119943708
3-(3,4-diethoxyphenyl)-N-(2,5-dimethoxyphenyl)propanamide
CID 92677057
2-[3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanoylamino]-N-(2-methylpropyl)benzamide
CID 60615607
methyl 3-[3-(3,4-diethoxyphenyl)propanoylamino]-4-methylbenzoate
CID 92671993
N-(2-aminoethyl)-2-[3-(4-propoxyphenyl)propanoylamino]benzamide
CID 120604283

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,4-diethoxyphenyl)propanoylamino]-N-(2-methoxyethyl)benzamide?
The IUPAC name of 2-[3-(3,4-diethoxyphenyl)propanoylamino]-N-(2-methoxyethyl)benzamide (CID 99958293) is 2-[3-(3,4-diethoxyphenyl)propanoylamino]-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 2-[3-(3,4-diethoxyphenyl)propanoylamino]-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 2-[3-(3,4-diethoxyphenyl)propanoylamino]-N-(2-methoxyethyl)benzamide is CCOc1ccc(CCC(=O)Nc2ccccc2C(=O)NCCOC)cc1OCC.
What is the InChIKey of 2-[3-(3,4-diethoxyphenyl)propanoylamino]-N-(2-methoxyethyl)benzamide?
The InChIKey is BDMNZKRMNLGGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O5/c1-4-29-20-12-10-17(16-21(20)30-5-2)11-13-22(26)25-19-9-7-6-8-18(19)23(27)24-14-15-28-3/h6-10,12,16H,4-5,11,13-15H2,1-3H3,(H,24,27)(H,25,26).
What are the key properties of 2-[3-(3,4-diethoxyphenyl)propanoylamino]-N-(2-methoxyethyl)benzamide?
2-[3-(3,4-diethoxyphenyl)propanoylamino]-N-(2-methoxyethyl)benzamide has a molecular weight of 414.50 g/mol, XLogP of 3.43, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,4-diethoxyphenyl)propanoylamino]-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 99958293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).