N-[2-(3,4-diethoxyphenyl)ethyl]-2-(2,2-dimethylpropanoylamino)benzamide

C24H32N2O4 — CID 1312332

IUPACN-[2-(3,4-diethoxyphenyl)ethyl]-2-(2,2-dimethylpropanoylamino)benzamide
SMILESCCOc1ccc(CCNC(=O)c2ccccc2NC(=O)C(C)(C)C)cc1OCC
InChIInChI=1S/C24H32N2O4/c1-6-29-20-13-12-17(16-21(20)30-7-2)14-15-25-22(27)18-10-8-9-11-19(18)26-23(28)24(3,4)5/h8-13,16H,6-7,14-15H2,1-5H3,(H,25,27)(H,26,28)
InChIKeyWYRHHOOBUAUEKU-UHFFFAOYSA-N
MW412.53 g/mol
LogP4.44
Rot. Bonds9

About N-[2-(3,4-diethoxyphenyl)ethyl]-2-(2,2-dimethylpropanoylamino)benzamide

N-[2-(3,4-diethoxyphenyl)ethyl]-2-(2,2-dimethylpropanoylamino)benzamide (PubChem CID 1312332) has the molecular formula C24H32N2O4 and a molecular weight of 412.53 g/mol. Its IUPAC name is N-[2-(3,4-diethoxyphenyl)ethyl]-2-(2,2-dimethylpropanoylamino)benzamide.

Molecular Properties

Compound NameN-[2-(3,4-diethoxyphenyl)ethyl]-2-(2,2-dimethylpropanoylamino)benzamide
PubChem CID1312332
Molecular FormulaC24H32N2O4
Molecular Weight412.53 g/mol
Exact Mass412.24
IUPAC NameN-[2-(3,4-diethoxyphenyl)ethyl]-2-(2,2-dimethylpropanoylamino)benzamide
SMILESCCOc1ccc(CCNC(=O)c2ccccc2NC(=O)C(C)(C)C)cc1OCC
InChIInChI=1S/C24H32N2O4/c1-6-29-20-13-12-17(16-21(20)30-7-2)14-15-25-22(27)18-10-8-9-11-19(18)26-23(28)24(3,4)5/h8-13,16H,6-7,14-15H2,1-5H3,(H,25,27)(H,26,28)
InChIKeyWYRHHOOBUAUEKU-UHFFFAOYSA-N
XLogP4.44
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-(3,4-diethoxyphenyl)ethyl]benzamide
CID 119943708
2-[3-(3,4-diethoxyphenyl)propanoylamino]-N-(2-methoxyethyl)benzamide
CID 99958293
1-[2-(3,4-diethoxyphenyl)ethyl]-3-(2-hydroxyphenyl)urea
CID 108871526
N-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 46612313
2-(2,2-dimethylpropanoylamino)-N-[2-(4-prop-2-ynoxyphenyl)ethyl]benzamide
CID 86945247
1-(2-bromophenyl)-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108868804
2-chloro-N-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]benzamide
CID 9474002
N-[2-[[N-[2-(3,4-diethoxyphenyl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide
CID 111246277
N-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]-3,4,5-trimethoxybenzamide
CID 4094581
N-[2-(3,4-diethoxyphenyl)ethyl]-2-hydroxy-4-methylbenzamide
CID 33239228
2-[3-(3,4-diethoxyphenyl)propanoylamino]benzamide
CID 30395458
1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(2-fluorophenyl)urea
CID 108891607

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-2-(2,2-dimethylpropanoylamino)benzamide?
The IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-2-(2,2-dimethylpropanoylamino)benzamide (CID 1312332) is N-[2-(3,4-diethoxyphenyl)ethyl]-2-(2,2-dimethylpropanoylamino)benzamide.
What is the SMILES notation for N-[2-(3,4-diethoxyphenyl)ethyl]-2-(2,2-dimethylpropanoylamino)benzamide?
The canonical SMILES for N-[2-(3,4-diethoxyphenyl)ethyl]-2-(2,2-dimethylpropanoylamino)benzamide is CCOc1ccc(CCNC(=O)c2ccccc2NC(=O)C(C)(C)C)cc1OCC.
What is the InChIKey of N-[2-(3,4-diethoxyphenyl)ethyl]-2-(2,2-dimethylpropanoylamino)benzamide?
The InChIKey is WYRHHOOBUAUEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4/c1-6-29-20-13-12-17(16-21(20)30-7-2)14-15-25-22(27)18-10-8-9-11-19(18)26-23(28)24(3,4)5/h8-13,16H,6-7,14-15H2,1-5H3,(H,25,27)(H,26,28).
What are the key properties of N-[2-(3,4-diethoxyphenyl)ethyl]-2-(2,2-dimethylpropanoylamino)benzamide?
N-[2-(3,4-diethoxyphenyl)ethyl]-2-(2,2-dimethylpropanoylamino)benzamide has a molecular weight of 412.53 g/mol, XLogP of 4.44, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-diethoxyphenyl)ethyl]-2-(2,2-dimethylpropanoylamino)benzamide is sourced from PubChem (CID 1312332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).