N-[2-[acetyl(3-phenylpropyl)amino]ethyl]-3,4-dimethoxybenzamide

C22H28N2O4 — CID 113056437

IUPACN-[2-[acetyl(3-phenylpropyl)amino]ethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCCN(CCCc2ccccc2)C(C)=O)cc1OC
InChIInChI=1S/C22H28N2O4/c1-17(25)24(14-7-10-18-8-5-4-6-9-18)15-13-23-22(26)19-11-12-20(27-2)21(16-19)28-3/h4-6,8-9,11-12,16H,7,10,13-15H2,1-3H3,(H,23,26)
InChIKeyHYRQWPLVFVARBD-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.91
Rot. Bonds10

About N-[2-[acetyl(3-phenylpropyl)amino]ethyl]-3,4-dimethoxybenzamide

N-[2-[acetyl(3-phenylpropyl)amino]ethyl]-3,4-dimethoxybenzamide (PubChem CID 113056437) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[2-[acetyl(3-phenylpropyl)amino]ethyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[acetyl(3-phenylpropyl)amino]ethyl]-3,4-dimethoxybenzamide
PubChem CID113056437
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC NameN-[2-[acetyl(3-phenylpropyl)amino]ethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCCN(CCCc2ccccc2)C(C)=O)cc1OC
InChIInChI=1S/C22H28N2O4/c1-17(25)24(14-7-10-18-8-5-4-6-9-18)15-13-23-22(26)19-11-12-20(27-2)21(16-19)28-3/h4-6,8-9,11-12,16H,7,10,13-15H2,1-3H3,(H,23,26)
InChIKeyHYRQWPLVFVARBD-UHFFFAOYSA-N
XLogP2.91
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[acetyl(2-phenylethyl)amino]ethyl]-4-methoxybenzamide
CID 113055550
3,4-dimethoxy-N-[2-(3-phenylpropylsulfamoyl)ethyl]benzamide
CID 7618926
N-[2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]ethyl]-3,4-dimethoxybenzamide
CID 113053058
3-methoxy-N-(3-phenylpropyl)-4-prop-2-enoxybenzamide
CID 27647355
N-[3-(3,4-dimethoxyphenyl)propyl]-3,4-dimethoxybenzamide
CID 14118389
4-hydroxy-3-methoxy-N-(4-phenylbutyl)benzamide
CID 23652768
N-[2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]ethyl]benzamide
CID 113055959
N-[2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]ethyl]-4-methoxybenzamide
CID 113056323
N-[2-[acetyl(cyclopropyl)amino]ethyl]-3,4-dimethoxybenzamide
CID 113052128
N-[2-[acetyl(2-phenylethyl)amino]ethyl]-3-fluorobenzamide
CID 113055543
N-[2-(N-acetyl-2-chloroanilino)ethyl]-3,4-dimethoxybenzamide
CID 113059429
3,4-dimethoxy-N-[3-(2-methoxyphenyl)propyl]benzamide
CID 99995361

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(3-phenylpropyl)amino]ethyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[2-[acetyl(3-phenylpropyl)amino]ethyl]-3,4-dimethoxybenzamide (CID 113056437) is N-[2-[acetyl(3-phenylpropyl)amino]ethyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-[acetyl(3-phenylpropyl)amino]ethyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[2-[acetyl(3-phenylpropyl)amino]ethyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)NCCN(CCCc2ccccc2)C(C)=O)cc1OC.
What is the InChIKey of N-[2-[acetyl(3-phenylpropyl)amino]ethyl]-3,4-dimethoxybenzamide?
The InChIKey is HYRQWPLVFVARBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-17(25)24(14-7-10-18-8-5-4-6-9-18)15-13-23-22(26)19-11-12-20(27-2)21(16-19)28-3/h4-6,8-9,11-12,16H,7,10,13-15H2,1-3H3,(H,23,26).
What are the key properties of N-[2-[acetyl(3-phenylpropyl)amino]ethyl]-3,4-dimethoxybenzamide?
N-[2-[acetyl(3-phenylpropyl)amino]ethyl]-3,4-dimethoxybenzamide has a molecular weight of 384.48 g/mol, XLogP of 2.91, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl(3-phenylpropyl)amino]ethyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 113056437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).