N-[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]ethyl]-3-methylbenzamide

C21H26N2O3 — CID 113055892

IUPACN-[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]ethyl]-3-methylbenzamide
SMILESCOc1cccc(CCN(CCNC(=O)c2cccc(C)c2)C(C)=O)c1
InChIInChI=1S/C21H26N2O3/c1-16-6-4-8-19(14-16)21(25)22-11-13-23(17(2)24)12-10-18-7-5-9-20(15-18)26-3/h4-9,14-15H,10-13H2,1-3H3,(H,22,25)
InChIKeyYUJYGEJCAIAYSB-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.82
Rot. Bonds8

About N-[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]ethyl]-3-methylbenzamide

N-[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]ethyl]-3-methylbenzamide (PubChem CID 113055892) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]ethyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]ethyl]-3-methylbenzamide
PubChem CID113055892
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]ethyl]-3-methylbenzamide
SMILESCOc1cccc(CCN(CCNC(=O)c2cccc(C)c2)C(C)=O)c1
InChIInChI=1S/C21H26N2O3/c1-16-6-4-8-19(14-16)21(25)22-11-13-23(17(2)24)12-10-18-7-5-9-20(15-18)26-3/h4-9,14-15H,10-13H2,1-3H3,(H,22,25)
InChIKeyYUJYGEJCAIAYSB-UHFFFAOYSA-N
XLogP2.82
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]ethyl]-2-(2-fluorophenyl)acetamide
CID 113055919
3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-[(3-methylphenyl)methyl]propanamide
CID 113121353
N-[2-[acetyl(pentyl)amino]ethyl]-3-methoxybenzamide
CID 113056954
N-[2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]ethyl]benzamide
CID 113055959
N-[2-[acetyl(2-phenylethyl)amino]ethyl]-4-methoxybenzamide
CID 113055550
N-[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]ethyl]cyclohexanecarboxamide
CID 113055884
N-[2-(methanesulfonamido)ethyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113055933
N-[2-[acetyl(2-phenylethyl)amino]ethyl]-3-fluorobenzamide
CID 113055543
3-methoxy-N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]benzamide
CID 113066703
3-N-(2-methoxyethyl)-1-N-[2-(3-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109052520
N-[2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]ethyl]-3-fluorobenzamide
CID 113057065
N-[2-[(4-methoxybenzoyl)amino]ethyl]-3-methylbenzamide
CID 108537853

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]ethyl]-3-methylbenzamide?
The IUPAC name of N-[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]ethyl]-3-methylbenzamide (CID 113055892) is N-[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]ethyl]-3-methylbenzamide.
What is the SMILES notation for N-[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]ethyl]-3-methylbenzamide?
The canonical SMILES for N-[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]ethyl]-3-methylbenzamide is COc1cccc(CCN(CCNC(=O)c2cccc(C)c2)C(C)=O)c1.
What is the InChIKey of N-[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]ethyl]-3-methylbenzamide?
The InChIKey is YUJYGEJCAIAYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-16-6-4-8-19(14-16)21(25)22-11-13-23(17(2)24)12-10-18-7-5-9-20(15-18)26-3/h4-9,14-15H,10-13H2,1-3H3,(H,22,25).
What are the key properties of N-[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]ethyl]-3-methylbenzamide?
N-[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]ethyl]-3-methylbenzamide has a molecular weight of 354.45 g/mol, XLogP of 2.82, 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-(3-methoxyphenyl)ethyl]amino]ethyl]-3-methylbenzamide is sourced from PubChem (CID 113055892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).