N-[2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]ethyl]benzamide

C20H24N2O3 — CID 113055959

IUPACN-[2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]ethyl]benzamide
SMILESCOc1ccc(CCN(CCNC(=O)c2ccccc2)C(C)=O)cc1
InChIInChI=1S/C20H24N2O3/c1-16(23)22(14-12-17-8-10-19(25-2)11-9-17)15-13-21-20(24)18-6-4-3-5-7-18/h3-11H,12-15H2,1-2H3,(H,21,24)
InChIKeyDUXJKQAKFZWMSK-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.52
Rot. Bonds8

About N-[2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]ethyl]benzamide

N-[2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]ethyl]benzamide (PubChem CID 113055959) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]ethyl]benzamide
PubChem CID113055959
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-[2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]ethyl]benzamide
SMILESCOc1ccc(CCN(CCNC(=O)c2ccccc2)C(C)=O)cc1
InChIInChI=1S/C20H24N2O3/c1-16(23)22(14-12-17-8-10-19(25-2)11-9-17)15-13-21-20(24)18-6-4-3-5-7-18/h3-11H,12-15H2,1-2H3,(H,21,24)
InChIKeyDUXJKQAKFZWMSK-UHFFFAOYSA-N
XLogP2.52
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[acetyl(2-phenylethyl)amino]ethyl]-4-methoxybenzamide
CID 113055550
N-[2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]ethyl]acetamide
CID 113055946
N-[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]ethyl]-3-methylbenzamide
CID 113055892
N-[2-[acetyl-[(4-fluorophenyl)methyl]amino]ethyl]-4-methoxybenzamide
CID 113054653
N-[2-[acetyl-[(4-chlorophenyl)methyl]amino]ethyl]-4-methoxybenzamide
CID 113054840
N-[2-[acetyl(2-phenylethyl)amino]ethyl]-3-fluorobenzamide
CID 113055543
N-[2-[acetyl-[(4-methoxyphenyl)methyl]amino]ethyl]-3,5-dimethoxybenzamide
CID 113055017
N-[2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]ethyl]-4-methoxybenzamide
CID 113056323
N-[2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]ethyl]benzamide
CID 113053040
N-[2-[acetyl(2-methoxyethyl)amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 113053170
N-[2-[acetyl(3-phenylpropyl)amino]ethyl]-3,4-dimethoxybenzamide
CID 113056437
N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 113053547

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]ethyl]benzamide?
The IUPAC name of N-[2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]ethyl]benzamide (CID 113055959) is N-[2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]ethyl]benzamide.
What is the SMILES notation for N-[2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]ethyl]benzamide?
The canonical SMILES for N-[2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]ethyl]benzamide is COc1ccc(CCN(CCNC(=O)c2ccccc2)C(C)=O)cc1.
What is the InChIKey of N-[2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]ethyl]benzamide?
The InChIKey is DUXJKQAKFZWMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-16(23)22(14-12-17-8-10-19(25-2)11-9-17)15-13-21-20(24)18-6-4-3-5-7-18/h3-11H,12-15H2,1-2H3,(H,21,24).
What are the key properties of N-[2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]ethyl]benzamide?
N-[2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]ethyl]benzamide has a molecular weight of 340.42 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]ethyl]benzamide is sourced from PubChem (CID 113055959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).