N-[2-[acetyl(2-phenylethyl)amino]ethyl]-4-methoxybenzamide

C20H24N2O3 — CID 113055550

IUPACN-[2-[acetyl(2-phenylethyl)amino]ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCN(CCc2ccccc2)C(C)=O)cc1
InChIInChI=1S/C20H24N2O3/c1-16(23)22(14-12-17-6-4-3-5-7-17)15-13-21-20(24)18-8-10-19(25-2)11-9-18/h3-11H,12-15H2,1-2H3,(H,21,24)
InChIKeyAADONBZLOXVANM-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.52
Rot. Bonds8

About N-[2-[acetyl(2-phenylethyl)amino]ethyl]-4-methoxybenzamide

N-[2-[acetyl(2-phenylethyl)amino]ethyl]-4-methoxybenzamide (PubChem CID 113055550) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[2-[acetyl(2-phenylethyl)amino]ethyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[acetyl(2-phenylethyl)amino]ethyl]-4-methoxybenzamide
PubChem CID113055550
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-[2-[acetyl(2-phenylethyl)amino]ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCN(CCc2ccccc2)C(C)=O)cc1
InChIInChI=1S/C20H24N2O3/c1-16(23)22(14-12-17-6-4-3-5-7-17)15-13-21-20(24)18-8-10-19(25-2)11-9-18/h3-11H,12-15H2,1-2H3,(H,21,24)
InChIKeyAADONBZLOXVANM-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

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Related Compounds

N-[2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]ethyl]benzamide
CID 113055959
N-[2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]ethyl]acetamide
CID 113055946
N-[2-[acetyl(3-phenylpropyl)amino]ethyl]-3,4-dimethoxybenzamide
CID 113056437
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-[(3,4-dimethoxyphenyl)methyl]amino]ethyl]-4-methoxybenzamide
CID 113056323
N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]-4-fluorobenzamide
CID 113055827
N-[2-[acetyl(2-phenylethyl)amino]ethyl]-2-bromobenzamide
CID 113055545
ethyl N-[2-[acetyl(2-phenylethyl)amino]ethyl]carbamate
CID 113055587
6-methoxy-N-(4-phenylbutyl)naphthalene-2-carboxamide
CID 110169894

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(2-phenylethyl)amino]ethyl]-4-methoxybenzamide?
The IUPAC name of N-[2-[acetyl(2-phenylethyl)amino]ethyl]-4-methoxybenzamide (CID 113055550) is N-[2-[acetyl(2-phenylethyl)amino]ethyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-[acetyl(2-phenylethyl)amino]ethyl]-4-methoxybenzamide?
The canonical SMILES for N-[2-[acetyl(2-phenylethyl)amino]ethyl]-4-methoxybenzamide is COc1ccc(C(=O)NCCN(CCc2ccccc2)C(C)=O)cc1.
What is the InChIKey of N-[2-[acetyl(2-phenylethyl)amino]ethyl]-4-methoxybenzamide?
The InChIKey is AADONBZLOXVANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-16(23)22(14-12-17-6-4-3-5-7-17)15-13-21-20(24)18-8-10-19(25-2)11-9-18/h3-11H,12-15H2,1-2H3,(H,21,24).
What are the key properties of N-[2-[acetyl(2-phenylethyl)amino]ethyl]-4-methoxybenzamide?
N-[2-[acetyl(2-phenylethyl)amino]ethyl]-4-methoxybenzamide 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-phenylethyl)amino]ethyl]-4-methoxybenzamide is sourced from PubChem (CID 113055550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).